CID 40929

53924-10-0

Structural Information

Molecular Formula
C22H17NO3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(NC4=C3C=C(C=C4)O)C(=O)O
InChI
InChI=1S/C22H17NO3/c24-16-11-12-18-17(13-16)20(21(23-18)22(25)26)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,23-24H,(H,25,26)
InChIKey
IGSKKFSCKDZNMV-UHFFFAOYSA-N
Compound name
3-benzhydryl-5-hydroxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.12085 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12813 179.9
[M+Na]+ 366.11007 187.0
[M-H]- 342.11357 186.0
[M+NH4]+ 361.15467 191.8
[M+K]+ 382.08401 180.0
[M+H-H2O]+ 326.11811 171.3
[M+HCOO]- 388.11905 197.5
[M+CH3COO]- 402.13470 189.5
[M+Na-2H]- 364.09552 181.7
[M]+ 343.12030 178.6
[M]- 343.12140 178.6
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.