CID 3088217

N,n-bis(2-chloroethyl)-n''-cyclohexyl-n',n'-dimethylphosphoric triamide

Structural Information

Molecular Formula
C12H26Cl2N3OP
SMILES
CN(C)P(=O)(NC1CCCCC1)N(CCCl)CCCl
InChI
InChI=1S/C12H26Cl2N3OP/c1-16(2)19(18,17(10-8-13)11-9-14)15-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,15,18)
InChIKey
HXMBVGLWFMNZQG-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11905 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12633 175.7
[M+Na]+ 352.10827 182.6
[M+NH4]+ 347.15287 182.7
[M+K]+ 368.08221 176.7
[M-H]- 328.11177 177.5
[M+Na-2H]- 350.09372 178.8
[M]+ 329.11850 177.3
[M]- 329.11960 177.3
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.