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]+ 305.20122 173.7
[M+Na]+ 327.18316 179.3
[M-H]- 303.18666 179.3
[M+NH4]+ 322.22776 187.3
[M+K]+ 343.15710 171.5
[M+H-H2O]+ 287.19120 163.3
[M+HCOO]- 349.19214 190.5
[M+CH3COO]- 363.20779 183.1
[M+Na-2H]- 325.16861 176.4
[M]+ 304.19339 169.0
[M]- 304.19449 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.