CID 13770924

97139-42-9

Structural Information

Molecular Formula
C13H25Cl2N4O6P
SMILES
CCOC(=O)C(C)NC(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C13H25Cl2N4O6P/c1-3-24-12(20)10(2)16-13(21)19(22)11-4-9-25-26(23,17-11)18(7-5-14)8-6-15/h10-11,22H,3-9H2,1-2H3,(H,16,21)(H,17,23)
InChIKey
ZGCJPJNWJYKVII-UHFFFAOYSA-N
Compound name
ethyl 2-[[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-hydroxycarbamoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.08887 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.09615 189.0
[M+Na]+ 457.07809 190.9
[M-H]- 433.08159 189.6
[M+NH4]+ 452.12269 198.8
[M+K]+ 473.05203 191.3
[M+H-H2O]+ 417.08613 182.2
[M+HCOO]- 479.08707 202.0
[M+CH3COO]- 493.10272 230.5
[M+Na-2H]- 455.06354 186.4
[M]+ 434.08832 193.8
[M]- 434.08942 193.8
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.