Metabolite 2-amino-5,6-dichloro-3,4,-dihydroquinazoline

Name

2-amino-5,6-dichloro-3,4,-dihydroquinazoline

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

BD898EX8IE

CAS number

Not Available

Weight

Average: 216.067
Monoisotopic: 215.001702653

Chemical Formula

C₈H₇Cl₂N₃

InChI Key

VBKOTIVQMCTTAQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)

IUPAC Name

5,6-dichloro-1,4-dihydroquinazolin-2-amine

SMILES

NC1=NCC2=C(N1)C=CC(Cl)=C2Cl

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-01bi-1910000000-15f335e8067ba5e18232
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-4853b4b6a0a24d2693d9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-07253fe7145420d9cd7c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-4af9ad0d92a0b35cb741
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-1290000000-25434d5135015e1d24bd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-3900000000-9a4c915db81e5e061b36
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-007c-6900000000-9baa98d68ccb40acdf16

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	132.0813632	predicted	DarkChem Lite v0.1.0
[M-H]-	140.54735	predicted	DeepCCS 1.0 (2019)
[M+H]+	133.0310632	predicted	DarkChem Lite v0.1.0
[M+H]+	142.91393	predicted	DeepCCS 1.0 (2019)
[M+Na]+	132.3538632	predicted	DarkChem Lite v0.1.0
[M+Na]+	150.11665	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties