CID 60382

109934-52-3

Structural Information

Molecular Formula
C20H22N2
SMILES
C1CCN(CC1)CC2=CN(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2/c1-3-9-18(10-4-1)22-16-17(15-21-13-7-2-8-14-21)19-11-5-6-12-20(19)22/h1,3-6,9-12,16H,2,7-8,13-15H2
InChIKey
PTXKHFUJNGYOTL-UHFFFAOYSA-N
Compound name
1-phenyl-3-(piperidin-1-ylmethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 169.6
[M+Na]+ 313.16750 176.0
[M-H]- 289.17100 176.7
[M+NH4]+ 308.21210 184.4
[M+K]+ 329.14144 169.3
[M+H-H2O]+ 273.17554 158.9
[M+HCOO]- 335.17648 188.2
[M+CH3COO]- 349.19213 180.0
[M+Na-2H]- 311.15295 173.1
[M]+ 290.17773 166.3
[M]- 290.17883 166.3
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.