CID 81709

(trans)-n,n'-bis(2-chlorobenzyl)-1,4-cyclohexanedicarboxamide dihydrochloride

Structural Information

Molecular Formula
C22H24Cl2N2O2
SMILES
C1CC(CCC1C(=O)NCC2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=C3Cl
InChI
InChI=1S/C22H24Cl2N2O2/c23-19-7-3-1-5-17(19)13-25-21(27)15-9-11-16(12-10-15)22(28)26-14-18-6-2-4-8-20(18)24/h1-8,15-16H,9-14H2,(H,25,27)(H,26,28)
InChIKey
KMYVUGNBAMKCBQ-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[(2-chlorophenyl)methyl]cyclohexane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1215 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12878 199.4
[M+Na]+ 441.11072 212.2
[M+NH4]+ 436.15532 207.0
[M+K]+ 457.08466 202.9
[M-H]- 417.11422 205.9
[M+Na-2H]- 439.09617 207.1
[M]+ 418.12095 203.5
[M]- 418.12205 203.5
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.