CID 95484423

Cvxiaa

Structural Information

Molecular Formula
C17H15NO3
SMILES
COC1=CC=CC(=C1)C2=CC3=C(C=C2)NC=C3CC(=O)O
InChI
InChI=1S/C17H15NO3/c1-21-14-4-2-3-11(7-14)12-5-6-16-15(8-12)13(10-18-16)9-17(19)20/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKey
QVAIVXZPAOBKHG-UHFFFAOYSA-N
Compound name
2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

281.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.2
[M+Na]+ 304.09442 178.5
[M+NH4]+ 299.13902 171.8
[M+K]+ 320.06836 173.3
[M-H]- 280.09792 167.1
[M+Na-2H]- 302.07987 171.3
[M]+ 281.10465 167.0
[M]- 281.10575 167.0
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