CID 13770918

97139-34-9

Structural Information

Molecular Formula
C15H23Cl2N4O5P
SMILES
COC1=CC=C(C=C1)NC(=O)N(C2CCOP(=O)(N2)N(CCCl)CCCl)O
InChI
InChI=1S/C15H23Cl2N4O5P/c1-25-13-4-2-12(3-5-13)18-15(22)21(23)14-6-11-26-27(24,19-14)20(9-7-16)10-8-17/h2-5,14,23H,6-11H2,1H3,(H,18,22)(H,19,24)
InChIKey
IIWQMBGXPHNNLJ-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxy-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0783 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08558 192.1
[M+Na]+ 463.06752 195.2
[M-H]- 439.07102 195.7
[M+NH4]+ 458.11212 201.4
[M+K]+ 479.04146 193.9
[M+H-H2O]+ 423.07556 183.1
[M+HCOO]- 485.07650 206.9
[M+CH3COO]- 499.09215 231.0
[M+Na-2H]- 461.05297 191.6
[M]+ 440.07775 195.9
[M]- 440.07885 195.9
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.