CID 60555

Indole, 1-phenyl-3-(3-piperidinopropyl)-

Structural Information

Molecular Formula
C22H26N2
SMILES
C1CCN(CC1)CCCC2=CN(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2/c1-3-11-20(12-4-1)24-18-19(21-13-5-6-14-22(21)24)10-9-17-23-15-7-2-8-16-23/h1,3-6,11-14,18H,2,7-10,15-17H2
InChIKey
MNZRHFPJIQCVOP-UHFFFAOYSA-N
Compound name
1-phenyl-3-(3-piperidin-1-ylpropyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 178.6
[M+Na]+ 341.19882 184.0
[M-H]- 317.20232 185.2
[M+NH4]+ 336.24342 192.2
[M+K]+ 357.17276 176.8
[M+H-H2O]+ 301.20686 167.5
[M+HCOO]- 363.20780 196.4
[M+CH3COO]- 377.22345 188.0
[M+Na-2H]- 339.18427 180.9
[M]+ 318.20905 175.9
[M]- 318.21015 175.9
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.