CID 16122612

1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine

Structural Information

Molecular Formula
C23H28N2
SMILES
CC1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)CNCC4CCCCC4
InChI
InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3
InChIKey
MMIJMYOYKAKQPN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[[1-(4-methylphenyl)indol-3-yl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

332.22525 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23253 181.5
[M+Na]+ 355.21447 186.6
[M-H]- 331.21797 189.8
[M+NH4]+ 350.25907 196.0
[M+K]+ 371.18841 179.4
[M+H-H2O]+ 315.22251 171.3
[M+HCOO]- 377.22345 201.4
[M+CH3COO]- 391.23910 191.1
[M+Na-2H]- 353.19992 183.4
[M]+ 332.22470 178.5
[M]- 332.22580 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe