CID 2742914

N-benzyl-5-methoxy-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C17H16N2O2
SMILES
COC1=CC2=C(C=C1)NC(=C2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2/c1-21-14-7-8-15-13(9-14)10-16(19-15)17(20)18-11-12-5-3-2-4-6-12/h2-10,19H,11H2,1H3,(H,18,20)
InChIKey
IRMIXAXYBMZVRK-UHFFFAOYSA-N
Compound name
N-benzyl-5-methoxy-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1
Patents

280.1212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 163.3
[M+Na]+ 303.110418 171.3
[M-H]- 279.113924 168.8
[M+NH4]+ 298.155023 179.6
[M+K]+ 319.084358 166.0
[M+H-H2O]+ 263.118460 155.2
[M+HCOO]- 325.119401 186.5
[M+CH3COO]- 339.135051 175.1
[M+Na-2H]- 301.095866 168.7
[M]+ 280.12065142 164.6
[M]- 280.12174858 164.6
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