CID 40928

53924-09-7

Structural Information

Molecular Formula
C22H17NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C(=O)O
InChI
InChI=1S/C22H17NO2/c24-22(25)21-20(17-13-7-8-14-18(17)23-21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,23H,(H,24,25)
InChIKey
RCRHDXWBWNDQLB-UHFFFAOYSA-N
Compound name
3-benzhydryl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.12592 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13320 176.9
[M+Na]+ 350.11514 183.8
[M-H]- 326.11864 184.0
[M+NH4]+ 345.15974 190.0
[M+K]+ 366.08908 176.7
[M+H-H2O]+ 310.12318 168.0
[M+HCOO]- 372.12412 195.9
[M+CH3COO]- 386.13977 187.0
[M+Na-2H]- 348.10059 179.6
[M]+ 327.12537 175.5
[M]- 327.12647 175.5
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

patents stripe