CID 13770919

97139-35-0

Structural Information

Molecular Formula
C15H23Cl2N4O4P
SMILES
CC1=CC=CC=C1NC(=O)N(C2CCOP(=O)(N2)N(CCCl)CCCl)O
InChI
InChI=1S/C15H23Cl2N4O4P/c1-12-4-2-3-5-13(12)18-15(22)21(23)14-6-11-25-26(24,19-14)20(9-7-16)10-8-17/h2-5,14,23H,6-11H2,1H3,(H,18,22)(H,19,24)
InChIKey
KJYVWMFWYKGZIB-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxy-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0834 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.09068 192.8
[M+Na]+ 447.07262 200.5
[M+NH4]+ 442.11722 198.5
[M+K]+ 463.04656 194.7
[M-H]- 423.07612 195.6
[M+Na-2H]- 445.05807 196.9
[M]+ 424.08285 194.8
[M]- 424.08395 194.8
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.