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]+ 326.138676 175.4
[M+Na]+ 348.120618 184.3
[M-H]- 324.124124 180.0
[M+NH4]+ 343.165223 189.9
[M+K]+ 364.094558 179.2
[M+H-H2O]+ 308.128660 167.7
[M+HCOO]- 370.129601 195.7
[M+CH3COO]- 384.145251 205.0
[M+Na-2H]- 346.106066 177.4
[M]+ 325.13085142 180.0
[M]- 325.13194858 180.0
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.