CID 13770945

97139-67-8

Structural Information

Molecular Formula
C14H27Cl2N4O4P
SMILES
C1CCC(CC1)NC(=O)N(C2CCOP(=O)(N2)N(CCCl)CCCl)O
InChI
InChI=1S/C14H27Cl2N4O4P/c15-7-9-19(10-8-16)25(23)18-13(6-11-24-25)20(22)14(21)17-12-4-2-1-3-5-12/h12-13,22H,1-11H2,(H,17,21)(H,18,23)
InChIKey
DPSSZJQTMCEKNL-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-cyclohexyl-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

416.1147 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.121976 189.2
[M+Na]+ 439.103918 189.2
[M-H]- 415.107424 191.4
[M+NH4]+ 434.148523 199.0
[M+K]+ 455.077858 187.8
[M+H-H2O]+ 399.111960 180.5
[M+HCOO]- 461.112901 199.9
[M+CH3COO]- 475.128551 225.9
[M+Na-2H]- 437.089366 186.8
[M]+ 416.11415142 186.8
[M]- 416.11524858 186.8
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

patents stripe