Metabolite N1, N10-diacetyltriethylenetetramine

Name

N1, N10-diacetyltriethylenetetramine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 230.312
Monoisotopic: 230.174275964

Chemical Formula

C₁₀H₂₂N₄O₂

InChI Key

WJZSOPBEHMQITR-UHFFFAOYSA-N

InChI

InChI=1S/C10H22N4O2/c1-9(15)13-7-5-11-3-4-12-6-8-14-10(2)16/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)

IUPAC Name

N-[2-({2-[(2-acetamidoethyl)amino]ethyl}amino)ethyl]acetamide

SMILES

CC(=O)NCCNCCNCCNC(C)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0290000000-332b0df5f6697769989b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0490000000-ad4acfe4cefd04b5fabf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-6940000000-e51dbd6a4c2c7be57c4b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-9410000000-76207e0367dac92acfc7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9700000000-b6f3c3c93529643b43cf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-9300000000-825d70d75df1ef732935

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	146.23076	predicted	DeepCCS 1.0 (2019)
[M+H]+	148.99937	predicted	DeepCCS 1.0 (2019)
[M+Na]+	157.99078	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties