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 179.9
[M+Na]+ 415.03115 183.5
[M+NH4]+ 410.07575 183.2
[M+K]+ 431.00509 181.3
[M-H]- 391.03465 177.9
[M+Na-2H]- 413.01660 179.6
[M]+ 392.04138 179.4
[M]- 392.04248 179.4
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