CID 3051025

1,3-cyclopentanebis(methylamine), n,n'-bis(2-chlorobenzyl)-1,2,2-trimethyl-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C24H32Cl2N2
SMILES
CC1C(CCC1(C)CNCC2=CC=CC=C2Cl)(C)CNCC3=CC=CC=C3Cl
InChI
InChI=1S/C24H32Cl2N2/c1-18-23(2,16-27-14-19-8-4-6-10-21(19)25)12-13-24(18,3)17-28-15-20-9-5-7-11-22(20)26/h4-11,18,27-28H,12-17H2,1-3H3
InChIKey
CFWCUFCWGOSDIC-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N-[[3-[[(2-chlorophenyl)methylamino]methyl]-1,2,3-trimethylcyclopentyl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.19424 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20152 202.3
[M+Na]+ 441.18346 209.1
[M-H]- 417.18696 210.5
[M+NH4]+ 436.22806 219.3
[M+K]+ 457.15740 200.0
[M+H-H2O]+ 401.19150 195.1
[M+HCOO]- 463.19244 215.1
[M+CH3COO]- 477.20809 229.0
[M+Na-2H]- 439.16891 201.8
[M]+ 418.19369 204.7
[M]- 418.19479 204.7
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.