CID 44154040

4,4'-(cyclohexane-1,3-diyl)di-o-toluidine

Structural Information

Molecular Formula
C20H26N2
SMILES
CC1=C(C=CC(=C1)C2CCCC(C2)C3=CC(=C(C=C3)N)C)N
InChI
InChI=1S/C20H26N2/c1-13-10-17(6-8-19(13)21)15-4-3-5-16(12-15)18-7-9-20(22)14(2)11-18/h6-11,15-16H,3-5,12,21-22H2,1-2H3
InChIKey
MPLRYIUJAPRXEC-UHFFFAOYSA-N
Compound name
4-[3-(4-amino-3-methylphenyl)cyclohexyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 173.7
[M+Na]+ 317.19882 179.0
[M-H]- 293.20232 182.1
[M+NH4]+ 312.24342 188.2
[M+K]+ 333.17276 173.0
[M+H-H2O]+ 277.20686 164.9
[M+HCOO]- 339.20780 193.8
[M+CH3COO]- 353.22345 183.8
[M+Na-2H]- 315.18427 173.1
[M]+ 294.20905 166.6
[M]- 294.21015 166.6
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.