CID 3088220

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

Structural Information

Molecular Formula
C12H26Cl2N3O2P
SMILES
C1CCC(CC1)NP(=O)(NCCO)N(CCCl)CCCl
InChI
InChI=1S/C12H26Cl2N3O2P/c13-6-9-17(10-7-14)20(19,15-8-11-18)16-12-4-2-1-3-5-12/h12,18H,1-11H2,(H2,15,16,19)
InChIKey
HGQCIGLUITYMKL-UHFFFAOYSA-N
Compound name
2-[[bis(2-chloroethyl)amino-(cyclohexylamino)phosphoryl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11398 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12126 178.8
[M+Na]+ 368.10320 180.5
[M-H]- 344.10670 178.9
[M+NH4]+ 363.14780 192.7
[M+K]+ 384.07714 176.1
[M+H-H2O]+ 328.11124 171.3
[M+HCOO]- 390.11218 194.8
[M+CH3COO]- 404.12783 215.9
[M+Na-2H]- 366.08865 178.5
[M]+ 345.11343 179.0
[M]- 345.11453 179.0
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.