CID 13558203

97139-28-1

Structural Information

Molecular Formula
C10H19Cl2N4O6P
SMILES
C1COP(=O)(NC1N(C(=O)NCC(=O)O)O)N(CCCl)CCCl
InChI
InChI=1S/C10H19Cl2N4O6P/c11-2-4-15(5-3-12)23(21)14-8(1-6-22-23)16(20)10(19)13-7-9(17)18/h8,20H,1-7H2,(H,13,19)(H,14,21)(H,17,18)
InChIKey
NMIORVPGMMHVSO-UHFFFAOYSA-N
Compound name
2-[[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-hydroxycarbamoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

392.04193 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04921 175.9
[M+Na]+ 415.03115 178.6
[M-H]- 391.03465 175.4
[M+NH4]+ 410.07575 186.5
[M+K]+ 431.00509 178.2
[M+H-H2O]+ 375.03919 169.4
[M+HCOO]- 437.04013 189.2
[M+CH3COO]- 451.05578 219.5
[M+Na-2H]- 413.01660 175.2
[M]+ 392.04138 178.3
[M]- 392.04248 178.3
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

patents stripe