CID 3074982

169811-10-3

Structural Information

Molecular Formula
C14H28Cl2N3O2P
SMILES
C1CCC(CC1)NP(=O)(N2CCOCC2)N(CCCl)CCCl
InChI
InChI=1S/C14H28Cl2N3O2P/c15-6-8-18(9-7-16)22(20,19-10-12-21-13-11-19)17-14-4-2-1-3-5-14/h14H,1-13H2,(H,17,20)
InChIKey
QGLZNJWMXJRYCA-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)amino-morpholin-4-ylphosphoryl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1296 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13688 186.6
[M+Na]+ 394.11882 186.7
[M-H]- 370.12232 189.3
[M+NH4]+ 389.16342 197.1
[M+K]+ 410.09276 183.9
[M+H-H2O]+ 354.12686 176.2
[M+HCOO]- 416.12780 197.0
[M+CH3COO]- 430.14345 218.6
[M+Na-2H]- 392.10427 185.5
[M]+ 371.12905 184.2
[M]- 371.13015 184.2
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.