CID 128314

4-(s-ethanol)-sulfido-cyclophosphamide

Structural Information

Molecular Formula
C9H19Cl2N2O3PS
SMILES
C1COP(=O)(NC1SCCO)N(CCCl)CCCl
InChI
InChI=1S/C9H19Cl2N2O3PS/c10-2-4-13(5-3-11)17(15)12-9(1-7-16-17)18-8-6-14/h9,14H,1-8H2,(H,12,15)
InChIKey
ONLNXYIUEGBZJG-UHFFFAOYSA-N
Compound name
2-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]sulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.0231 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.03038 168.5
[M+Na]+ 359.01232 176.5
[M+NH4]+ 354.05692 175.9
[M+K]+ 374.98626 168.0
[M-H]- 335.01582 168.9
[M+Na-2H]- 356.99777 171.0
[M]+ 336.02255 170.4
[M]- 336.02365 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.