CID 80920

6442-08-6

Structural Information

Molecular Formula
C20H26N2
SMILES
CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)N)C)N
InChI
InChI=1S/C20H26N2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13H,3-5,10-11,21-22H2,1-2H3
InChIKey
CGEPGDQNCRDJHS-UHFFFAOYSA-N
Compound name
4-[1-(4-amino-3-methylphenyl)cyclohexyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

308
Patents

294.2096 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 174.0
[M+Na]+ 317.19882 187.5
[M+NH4]+ 312.24342 184.9
[M+K]+ 333.17276 176.8
[M-H]- 293.20232 182.6
[M+Na-2H]- 315.18427 184.7
[M]+ 294.20905 178.6
[M]- 294.21015 178.6
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

patents stripe