CID 40935

53924-17-7

Structural Information

Molecular Formula
C24H21NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(C4=CC=CC=C43)CCC(=O)O
InChI
InChI=1S/C24H21NO2/c26-23(27)15-16-25-17-21(20-13-7-8-14-22(20)25)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,24H,15-16H2,(H,26,27)
InChIKey
YSIRQMKOJSTZCP-UHFFFAOYSA-N
Compound name
3-(3-benzhydrylindol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.15723 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.164506 186.5
[M+Na]+ 378.146448 192.9
[M-H]- 354.149954 194.4
[M+NH4]+ 373.191053 199.1
[M+K]+ 394.120388 186.1
[M+H-H2O]+ 338.154490 176.7
[M+HCOO]- 400.155431 206.2
[M+CH3COO]- 414.171081 196.3
[M+Na-2H]- 376.131896 188.4
[M]+ 355.15668142 187.4
[M]- 355.15777858 187.4
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.