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

10
Patents

281.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.112476 163.3
[M+Na]+ 304.094418 172.4
[M-H]- 280.097924 167.9
[M+NH4]+ 299.139023 179.4
[M+K]+ 320.068358 167.0
[M+H-H2O]+ 264.102460 155.9
[M+HCOO]- 326.103401 184.1
[M+CH3COO]- 340.119051 195.7
[M+Na-2H]- 302.079866 167.0
[M]+ 281.10465142 165.4
[M]- 281.10574858 165.4
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