CID 16767621

3-[2-(2,4-dimethoxyphenyl)-1h-indol-3-yl]propanoic acid

Structural Information

Molecular Formula
C19H19NO4
SMILES
COC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)O)OC
InChI
InChI=1S/C19H19NO4/c1-23-12-7-8-15(17(11-12)24-2)19-14(9-10-18(21)22)13-5-3-4-6-16(13)20-19/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKey
WEVWBIJISCZDAJ-UHFFFAOYSA-N
Compound name
3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.5
[M+Na]+ 348.12062 190.2
[M+NH4]+ 343.16522 183.1
[M+K]+ 364.09456 185.3
[M-H]- 324.12412 178.8
[M+Na-2H]- 346.10607 182.3
[M]+ 325.13085 179.0
[M]- 325.13195 179.0
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

No patent data available for this compound.