CID 13770905

97139-64-5

Structural Information

Molecular Formula
C11H23Cl2N4O4P
SMILES
CC(C)NC(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C11H23Cl2N4O4P/c1-9(2)14-11(18)17(19)10-3-8-21-22(20,15-10)16(6-4-12)7-5-13/h9-10,19H,3-8H2,1-2H3,(H,14,18)(H,15,20)
InChIKey
MOZCABXABTWDJT-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxy-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0834 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09068 181.3
[M+Na]+ 399.07262 186.2
[M+NH4]+ 394.11722 186.2
[M+K]+ 415.04656 182.3
[M-H]- 375.07612 181.0
[M+Na-2H]- 397.05807 182.1
[M]+ 376.08285 181.8
[M]- 376.08395 181.8
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.