CID 77089

Trans-n-(o-chlorobenzyl)-n'-(cyclohexylmethyl)-1,4cyclohexanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C22H35ClN2
SMILES
C1CCC(CC1)CNCC2CCC(CC2)CNCC3=CC=CC=C3Cl
InChI
InChI=1S/C22H35ClN2/c23-22-9-5-4-8-21(22)17-25-16-20-12-10-19(11-13-20)15-24-14-18-6-2-1-3-7-18/h4-5,8-9,18-20,24-25H,1-3,6-7,10-17H2
InChIKey
GKBJGOMQFRHUMQ-UHFFFAOYSA-N
Compound name
N-[[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]-1-cyclohexylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.24887 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25615 191.3
[M+Na]+ 385.23809 190.5
[M-H]- 361.24159 197.4
[M+NH4]+ 380.28269 203.1
[M+K]+ 401.21203 183.4
[M+H-H2O]+ 345.24613 181.8
[M+HCOO]- 407.24707 203.1
[M+CH3COO]- 421.26272 219.6
[M+Na-2H]- 383.22354 190.3
[M]+ 362.24832 183.6
[M]- 362.24942 183.6
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.