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 162.5
[M+Na]+ 359.01232 167.2
[M-H]- 335.01582 161.7
[M+NH4]+ 354.05692 176.8
[M+K]+ 374.98626 163.7
[M+H-H2O]+ 319.02036 156.2
[M+HCOO]- 381.02130 170.9
[M+CH3COO]- 395.03695 203.1
[M+Na-2H]- 356.99777 161.6
[M]+ 336.02255 166.1
[M]- 336.02365 166.1
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.