CID 44154040

71617-21-5

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]+ 295.216876 173.7
[M+Na]+ 317.198818 179.0
[M-H]- 293.202324 182.1
[M+NH4]+ 312.243423 188.2
[M+K]+ 333.172758 173.0
[M+H-H2O]+ 277.206860 164.9
[M+HCOO]- 339.207801 193.8
[M+CH3COO]- 353.223451 183.8
[M+Na-2H]- 315.184266 173.1
[M]+ 294.20905142 166.6
[M]- 294.21014858 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.