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 179.8
[M+Na]+ 399.07262 182.7
[M-H]- 375.07612 180.4
[M+NH4]+ 394.11722 192.0
[M+K]+ 415.04656 181.9
[M+H-H2O]+ 359.08066 172.9
[M+HCOO]- 421.08160 193.5
[M+CH3COO]- 435.09725 220.8
[M+Na-2H]- 397.05807 178.1
[M]+ 376.08285 182.2
[M]- 376.08395 182.2
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.