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]+ 329.12848 177.7
[M+Na]+ 351.11042 185.5
[M-H]- 327.11392 185.7
[M+NH4]+ 346.15502 193.2
[M+K]+ 367.08436 178.4
[M+H-H2O]+ 311.11846 168.7
[M+HCOO]- 373.11940 197.5
[M+CH3COO]- 387.13505 188.1
[M+Na-2H]- 349.09587 180.6
[M]+ 328.12065 174.2
[M]- 328.12175 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.