Metabolite L-cyclophosphamide

Name

L-cyclophosphamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 261.08
Monoisotopic: 260.0248201

Chemical Formula

C₇H₁₅Cl₂N₂O₂P

InChI Key

CMSMOCZEIVJLDB-CQSZACIVSA-N

InChI

InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/t14-/m1/s1

IUPAC Name

(2R)-2-[bis(2-chloroethyl)amino]-1,3,2lambda5-oxazaphosphinan-2-one

SMILES

[H]N1C([H])([H])C([H])([H])C([H])([H])O[P@@]1(=O)N(C([H])([H])C([H])([H])Cl)C([H])([H])C([H])([H])Cl

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a6r-0940000000-d62897de76529a38cd34
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0090000000-36e159521ce2cb4974f8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-08fr-5920000000-f677944242528b77b471
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0aw9-2590000000-51591cf3f8d5178ad2f7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-9500000000-dfcfb3896b8fa96d54d8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03k9-9410000000-319f9d1000ae02b686aa

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	148.6314	predicted	DeepCCS 1.0 (2019)
[M+H]+	150.52681	predicted	DeepCCS 1.0 (2019)
[M+Na]+	156.36284	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties