CID 102036

1,4-cyclohexanebis(methylamine), n,n'-bis(2-methylbenzyl)-, dihydrochloride

Structural Information

Molecular Formula
C24H34N2
SMILES
CC1=CC=CC=C1CNCC2CCC(CC2)CNCC3=CC=CC=C3C
InChI
InChI=1S/C24H34N2/c1-19-7-3-5-9-23(19)17-25-15-21-11-13-22(14-12-21)16-26-18-24-10-6-4-8-20(24)2/h3-10,21-22,25-26H,11-18H2,1-2H3
InChIKey
JFRNTWMYTRAHHT-UHFFFAOYSA-N
Compound name
N-[(2-methylphenyl)methyl]-1-[4-[[(2-methylphenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

350.2722 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.27948 188.8
[M+Na]+ 373.26142 190.3
[M-H]- 349.26492 196.4
[M+NH4]+ 368.30602 200.7
[M+K]+ 389.23536 183.9
[M+H-H2O]+ 333.26946 178.5
[M+HCOO]- 395.27040 208.7
[M+CH3COO]- 409.28605 222.1
[M+Na-2H]- 371.24687 189.6
[M]+ 350.27165 184.1
[M]- 350.27275 184.1
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

patents stripe