CID 37383

36137-11-8

Structural Information

Molecular Formula

C₂₁H₁₅NO₃

SMILES

C1=CC=C(C=C1)C2(C3=CC=CC(=C3NC2=O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H15NO3/c23-19(24)16-12-7-13-17-18(16)22-20(25)21(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H,(H,22,25)(H,23,24)

InChIKey

OGQUYKMYEDWTRF-UHFFFAOYSA-N

Compound name

2-oxo-3,3-diphenyl-1H-indole-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 329.1052 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.11248	177.6
[M+Na]+	352.09442	185.6
[M-H]-	328.09792	184.8
[M+NH4]+	347.13902	192.8
[M+K]+	368.06836	178.7
[M+H-H2O]+	312.10246	168.9
[M+HCOO]-	374.10340	195.6
[M+CH3COO]-	388.11905	187.9
[M+Na-2H]-	350.07987	180.4
[M]+	329.10465	175.2
[M]-	329.10575	175.2

Literature stripe

literature stripe

Patent stripe

patents stripe