CID 3040473

Brn 0434474

Structural Information

Molecular Formula
C22H26N2
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CNC4CCCCC4
InChI
InChI=1S/C22H26N2/c1-16-11-13-17(14-12-16)22-20(15-23-18-7-3-2-4-8-18)19-9-5-6-10-21(19)24-22/h5-6,9-14,18,23-24H,2-4,7-8,15H2,1H3
InChIKey
VRNKYTSEGTZPII-UHFFFAOYSA-N
Compound name
N-[[2-(4-methylphenyl)-1H-indol-3-yl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 176.5
[M+Na]+ 341.19882 181.7
[M-H]- 317.20232 183.7
[M+NH4]+ 336.24342 190.9
[M+K]+ 357.17276 173.9
[M+H-H2O]+ 301.20686 166.9
[M+HCOO]- 363.20780 195.3
[M+CH3COO]- 377.22345 186.0
[M+Na-2H]- 339.18427 178.8
[M]+ 318.20905 171.5
[M]- 318.21015 171.5
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.