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]+ 417.12198 189.2
[M+Na]+ 439.10392 189.2
[M-H]- 415.10742 191.4
[M+NH4]+ 434.14852 199.0
[M+K]+ 455.07786 187.8
[M+H-H2O]+ 399.11196 180.5
[M+HCOO]- 461.11290 199.9
[M+CH3COO]- 475.12855 225.9
[M+Na-2H]- 437.08937 186.8
[M]+ 416.11415 186.8
[M]- 416.11525 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