CID 13770903

97139-61-2

Structural Information

Molecular Formula
C12H23Cl2N4O5P
SMILES
C1COP(=O)(NC1N(C(=O)N2CCOCC2)O)N(CCCl)CCCl
InChI
InChI=1S/C12H23Cl2N4O5P/c13-2-4-17(5-3-14)24(21)15-11(1-8-23-24)18(20)12(19)16-6-9-22-10-7-16/h11,20H,1-10H2,(H,15,21)
InChIKey
SLDLNSLHDPLOJS-UHFFFAOYSA-N
Compound name
N-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-N-hydroxymorpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

404.0783 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08558 184.7
[M+Na]+ 427.06752 186.1
[M-H]- 403.07102 186.6
[M+NH4]+ 422.11212 192.5
[M+K]+ 443.04146 186.5
[M+H-H2O]+ 387.07556 175.1
[M+HCOO]- 449.07650 192.8
[M+CH3COO]- 463.09215 220.1
[M+Na-2H]- 425.05297 183.5
[M]+ 404.07775 184.3
[M]- 404.07885 184.3
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