CID 40939

53924-31-5

Structural Information

Molecular Formula
C24H21NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)CCC(=O)O
InChI
InChI=1S/C24H21NO2/c26-22(27)16-15-20-19-13-7-8-14-21(19)25-24(20)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,23,25H,15-16H2,(H,26,27)
InChIKey
RPABWLHQMXVQFR-UHFFFAOYSA-N
Compound name
3-(2-benzhydryl-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.15723 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16451 186.0
[M+Na]+ 378.14645 192.0
[M-H]- 354.14995 192.6
[M+NH4]+ 373.19105 197.9
[M+K]+ 394.12039 184.4
[M+H-H2O]+ 338.15449 176.6
[M+HCOO]- 400.15543 204.3
[M+CH3COO]- 414.17108 195.2
[M+Na-2H]- 376.13190 187.6
[M]+ 355.15668 185.2
[M]- 355.15778 185.2
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.