CID 3054786

71765-63-4

Structural Information

Molecular Formula
C22H26N2
SMILES
CC1CCCCN1CCC2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3
InChIKey
PYPVMGCWFRRKNC-UHFFFAOYSA-N
Compound name
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 178.9
[M+Na]+ 341.19882 185.0
[M-H]- 317.20232 184.7
[M+NH4]+ 336.24342 192.3
[M+K]+ 357.17276 176.9
[M+H-H2O]+ 301.20686 168.5
[M+HCOO]- 363.20780 195.3
[M+CH3COO]- 377.22345 188.1
[M+Na-2H]- 339.18427 180.3
[M]+ 318.20905 175.0
[M]- 318.21015 175.0
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