CID 5003498

2,3-diphenyl-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C21H15NO2
SMILES
C1=CC=C(C=C1)C2=C(NC3=C2C=CC=C3C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)
InChIKey
OLUDUXWVPIEHDA-UHFFFAOYSA-N
Compound name
2,3-diphenyl-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

313.1103 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11758 172.7
[M+Na]+ 336.09952 181.4
[M-H]- 312.10302 180.3
[M+NH4]+ 331.14412 186.8
[M+K]+ 352.07346 173.9
[M+H-H2O]+ 296.10756 164.0
[M+HCOO]- 358.10850 193.1
[M+CH3COO]- 372.12415 183.7
[M+Na-2H]- 334.08497 176.3
[M]+ 313.10975 172.0
[M]- 313.11085 172.0
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