CID 2227769

695213-59-3

Structural Information

Molecular Formula
C21H24N2O
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C21H24N2O/c1-2-3-9-14-23-16-19(18-12-7-8-13-20(18)23)21(24)22-15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,22,24)
InChIKey
OLACYTSBFXCDOH-UHFFFAOYSA-N
Compound name
N-benzyl-1-pentylindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

320.18887 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 178.9
[M+Na]+ 343.17809 185.7
[M-H]- 319.18159 185.0
[M+NH4]+ 338.22269 194.3
[M+K]+ 359.15203 179.6
[M+H-H2O]+ 303.18613 169.8
[M+HCOO]- 365.18707 202.0
[M+CH3COO]- 379.20272 211.3
[M+Na-2H]- 341.16354 182.4
[M]+ 320.18832 181.9
[M]- 320.18942 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe