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

17
Patents

249.07898 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 154.5
[M+Na]+ 272.06820 164.7
[M-H]- 248.07170 161.7
[M+NH4]+ 267.11280 173.1
[M+K]+ 288.04214 159.8
[M+H-H2O]+ 232.07624 146.7
[M+HCOO]- 294.07718 178.7
[M+CH3COO]- 308.09283 168.0
[M+Na-2H]- 270.05365 160.2
[M]+ 249.07843 157.2
[M]- 249.07953 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.