CID 54046

78033-98-4

Structural Information

Molecular Formula
C21H16N2O2
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC(=C3NC2=O)C(=O)N)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O2/c22-19(24)16-12-7-13-17-18(16)23-20(25)21(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H,(H2,22,24)(H,23,25)
InChIKey
KYEFTLVKORUXBZ-UHFFFAOYSA-N
Compound name
2-oxo-3,3-diphenyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.128476 177.7
[M+Na]+ 351.110418 185.5
[M-H]- 327.113924 185.7
[M+NH4]+ 346.155023 193.2
[M+K]+ 367.084358 178.4
[M+H-H2O]+ 311.118460 168.7
[M+HCOO]- 373.119401 197.5
[M+CH3COO]- 387.135051 188.1
[M+Na-2H]- 349.095866 180.6
[M]+ 328.12065142 174.2
[M]- 328.12174858 174.2
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.