CID 59026

101832-91-1

Structural Information

Molecular Formula
C21H24N2
SMILES
C1CCN(C(C1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C21H24N2/c1-2-8-17(9-3-1)16-23-13-7-6-10-19(23)14-18-15-22-21-12-5-4-11-20(18)21/h1-5,8-9,11-12,15,19,22H,6-7,10,13-14,16H2
InChIKey
JNHTZUGAGDSEJS-UHFFFAOYSA-N
Compound name
3-[(1-benzylpiperidin-2-yl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19394 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.201216 173.7
[M+Na]+ 327.183158 179.3
[M-H]- 303.186664 179.3
[M+NH4]+ 322.227763 187.3
[M+K]+ 343.157098 171.5
[M+H-H2O]+ 287.191200 163.3
[M+HCOO]- 349.192141 190.5
[M+CH3COO]- 363.207791 183.1
[M+Na-2H]- 325.168606 176.4
[M]+ 304.19339142 169.0
[M]- 304.19448858 169.0
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

No patent data available for this compound.