CID 13770925

97139-43-0

Structural Information

Molecular Formula
C10H21Cl2N4O5P
SMILES
C1COP(=O)(NC1N(C(=O)NCCO)O)N(CCCl)CCCl
InChI
InChI=1S/C10H21Cl2N4O5P/c11-2-5-15(6-3-12)22(20)14-9(1-8-21-22)16(19)10(18)13-4-7-17/h9,17,19H,1-8H2,(H,13,18)(H,14,20)
InChIKey
CBKZVTXYGQASME-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxy-3-(2-hydroxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.06265 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06993 176.3
[M+Na]+ 401.05187 179.1
[M-H]- 377.05537 175.5
[M+NH4]+ 396.09647 187.6
[M+K]+ 417.02581 177.9
[M+H-H2O]+ 361.05991 169.4
[M+HCOO]- 423.06085 190.0
[M+CH3COO]- 437.07650 217.1
[M+Na-2H]- 399.03732 176.1
[M]+ 378.06210 178.3
[M]- 378.06320 178.3
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.