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 175.4
[M+Na]+ 348.12062 184.3
[M-H]- 324.12412 180.0
[M+NH4]+ 343.16522 189.9
[M+K]+ 364.09456 179.2
[M+H-H2O]+ 308.12866 167.7
[M+HCOO]- 370.12960 195.7
[M+CH3COO]- 384.14525 205.0
[M+Na-2H]- 346.10607 177.4
[M]+ 325.13085 180.0
[M]- 325.13195 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.