CID 13770932

97139-51-0

Structural Information

Molecular Formula
C15H31Cl2N4O4P
SMILES
CCCCCCN(C)C(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C15H31Cl2N4O4P/c1-3-4-5-6-10-19(2)15(22)21(23)14-7-13-25-26(24,18-14)20(11-8-16)12-9-17/h14,23H,3-13H2,1-2H3,(H,18,24)
InChIKey
CDJOCLAQLHCSKS-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-hexyl-1-hydroxy-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.146 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15328 197.6
[M+Na]+ 455.13522 202.2
[M+NH4]+ 450.17982 202.2
[M+K]+ 471.10916 197.2
[M-H]- 431.13872 197.7
[M+Na-2H]- 453.12067 198.1
[M]+ 432.14545 198.2
[M]- 432.14655 198.2
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.