CID 13770921

97139-39-4

Structural Information

Molecular Formula
C14H19Cl4N4O4P
SMILES
C1COP(=O)(NC1N(C(=O)NC2=CC(=C(C=C2)Cl)Cl)O)N(CCCl)CCCl
InChI
InChI=1S/C14H19Cl4N4O4P/c15-4-6-21(7-5-16)27(25)20-13(3-8-26-27)22(24)14(23)19-10-1-2-11(17)12(18)9-10/h1-2,9,13,24H,3-8H2,(H,19,23)(H,20,25)
InChIKey
ZGLBHDOEZHGZFR-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.9898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.99708 191.9
[M+Na]+ 500.97902 196.4
[M-H]- 476.98252 193.7
[M+NH4]+ 496.02362 200.4
[M+K]+ 516.95296 193.7
[M+H-H2O]+ 460.98706 185.5
[M+HCOO]- 522.98800 196.2
[M+CH3COO]- 537.00365 235.2
[M+Na-2H]- 498.96447 189.4
[M]+ 477.98925 194.4
[M]- 477.99035 194.4
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.