CID 2814138

N-(1h-indol-5-yl)benzamide

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C15H12N2O/c18-15(11-4-2-1-3-5-11)17-13-6-7-14-12(10-13)8-9-16-14/h1-10,16H,(H,17,18)
InChIKey
JCAFGYWSIWYMOX-UHFFFAOYSA-N
Compound name
N-(1H-indol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

56
Patents

236.09496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 150.6
[M+Na]+ 259.08418 158.8
[M-H]- 235.08768 156.1
[M+NH4]+ 254.12878 168.6
[M+K]+ 275.05812 153.3
[M+H-H2O]+ 219.09222 142.9
[M+HCOO]- 281.09316 174.4
[M+CH3COO]- 295.10881 163.1
[M+Na-2H]- 257.06963 157.8
[M]+ 236.09441 149.5
[M]- 236.09551 149.5
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