CID 13770923

97139-41-8

Structural Information

Molecular Formula
C10H20Cl3N4O4P
SMILES
C1COP(=O)(NC1N(C(=O)NCCCl)O)N(CCCl)CCCl
InChI
InChI=1S/C10H20Cl3N4O4P/c11-2-5-14-10(18)17(19)9-1-8-21-22(20,15-9)16(6-3-12)7-4-13/h9,19H,1-8H2,(H,14,18)(H,15,20)
InChIKey
IMMPXFLSNNEVCO-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-(2-chloroethyl)-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.02878 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.03606 177.9
[M+Na]+ 419.01800 181.3
[M-H]- 395.02150 177.6
[M+NH4]+ 414.06260 189.4
[M+K]+ 434.99194 179.4
[M+H-H2O]+ 379.02604 171.8
[M+HCOO]- 441.02698 187.5
[M+CH3COO]- 455.04263 221.3
[M+Na-2H]- 417.00345 177.1
[M]+ 396.02823 180.5
[M]- 396.02933 180.5
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.