CID 11010889

4307-97-5

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CC(=O)O
InChI
InChI=1S/C17H15NO2/c19-17(20)10-14-12-18(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,12H,10-11H2,(H,19,20)
InChIKey
IJQCTDRIUVFCMB-UHFFFAOYSA-N
Compound name
2-(1-benzylindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

86
Patents

265.1103 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 160.6
[M+Na]+ 288.09952 175.5
[M+NH4]+ 283.14412 169.1
[M+K]+ 304.07346 169.3
[M-H]- 264.10302 164.4
[M+Na-2H]- 286.08497 169.0
[M]+ 265.10975 163.8
[M]- 265.11085 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe