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]+ 291.185556 169.6
[M+Na]+ 313.167498 176.0
[M-H]- 289.171004 176.7
[M+NH4]+ 308.212103 184.4
[M+K]+ 329.141438 169.3
[M+H-H2O]+ 273.175540 158.9
[M+HCOO]- 335.176481 188.2
[M+CH3COO]- 349.192131 180.0
[M+Na-2H]- 311.152946 173.1
[M]+ 290.17773142 166.3
[M]- 290.17882858 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.