CID 339070

3-(2-phenyl-1h-indol-3-yl)propanoic acid

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)O
InChI
InChI=1S/C17H15NO2/c19-16(20)11-10-14-13-8-4-5-9-15(13)18-17(14)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,19,20)
InChIKey
HLMMIHTXAONNJG-UHFFFAOYSA-N
Compound name
3-(2-phenyl-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

265.1103 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 160.2
[M+Na]+ 288.09952 168.6
[M-H]- 264.10302 164.4
[M+NH4]+ 283.14412 176.7
[M+K]+ 304.07346 162.4
[M+H-H2O]+ 248.10756 152.8
[M+HCOO]- 310.10850 180.9
[M+CH3COO]- 324.12415 171.8
[M+Na-2H]- 286.08497 164.5
[M]+ 265.10975 160.4
[M]- 265.11085 160.4
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

patents stripe