CID 363329

1-benzoyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=O
InChI
InChI=1S/C16H11NO2/c18-11-13-10-17(15-9-5-4-8-14(13)15)16(19)12-6-2-1-3-7-12/h1-11H
InChIKey
QMNJJAQYGLNGGN-UHFFFAOYSA-N
Compound name
1-benzoylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

249.07898 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.086256 154.5
[M+Na]+ 272.068198 164.7
[M-H]- 248.071704 161.7
[M+NH4]+ 267.112803 173.1
[M+K]+ 288.042138 159.8
[M+H-H2O]+ 232.076240 146.7
[M+HCOO]- 294.077181 178.7
[M+CH3COO]- 308.092831 168.0
[M+Na-2H]- 270.053646 160.2
[M]+ 249.07843142 157.2
[M]- 249.07952858 157.2
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