CID 102058

1,4-cyclohexanebis(methylamine), n,n'-bis(2,4,6-trimethylbenzyl)-, dihydrochloride

Structural Information

Molecular Formula
C28H42N2
SMILES
CC1=CC(=C(C(=C1)C)CNCC2CCC(CC2)CNCC3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C28H42N2/c1-19-11-21(3)27(22(4)12-19)17-29-15-25-7-9-26(10-8-25)16-30-18-28-23(5)13-20(2)14-24(28)6/h11-14,25-26,29-30H,7-10,15-18H2,1-6H3
InChIKey
LGVHLLXWCFOQCZ-UHFFFAOYSA-N
Compound name
N-[(2,4,6-trimethylphenyl)methyl]-1-[4-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.3348 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.34208 208.2
[M+Na]+ 429.32402 211.7
[M-H]- 405.32752 216.7
[M+NH4]+ 424.36862 219.1
[M+K]+ 445.29796 204.8
[M+H-H2O]+ 389.33206 198.0
[M+HCOO]- 451.33300 226.6
[M+CH3COO]- 465.34865 238.9
[M+Na-2H]- 427.30947 203.9
[M]+ 406.33425 206.5
[M]- 406.33535 206.5
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.