CID 13770927

97139-45-2

Structural Information

Molecular Formula
C12H23Cl2N4O6P
SMILES
CCOC(=O)CNC(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C12H23Cl2N4O6P/c1-2-23-11(19)9-15-12(20)18(21)10-3-8-24-25(22,16-10)17(6-4-13)7-5-14/h10,21H,2-9H2,1H3,(H,15,20)(H,16,22)
InChIKey
SIOUHBKEVJJMKQ-UHFFFAOYSA-N
Compound name
ethyl 2-[[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-hydroxycarbamoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0732 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.08048 184.7
[M+Na]+ 443.06242 187.1
[M-H]- 419.06592 185.3
[M+NH4]+ 438.10702 195.0
[M+K]+ 459.03636 187.1
[M+H-H2O]+ 403.07046 177.6
[M+HCOO]- 465.07140 198.9
[M+CH3COO]- 479.08705 226.7
[M+Na-2H]- 441.04787 183.6
[M]+ 420.07265 189.6
[M]- 420.07375 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.