CID 7131111

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

Structural Information

Molecular Formula
C18H17NO3
SMILES
COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)O
InChI
InChI=1S/C18H17NO3/c1-22-13-8-6-12(7-9-13)18-15(10-11-17(20)21)14-4-2-3-5-16(14)19-18/h2-9,19H,10-11H2,1H3,(H,20,21)
InChIKey
AYISILBMVSEZSN-UHFFFAOYSA-N
Compound name
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.9
[M+Na]+ 318.11007 176.6
[M-H]- 294.11357 172.3
[M+NH4]+ 313.15467 183.4
[M+K]+ 334.08401 170.9
[M+H-H2O]+ 278.11811 160.3
[M+HCOO]- 340.11905 188.4
[M+CH3COO]- 354.13470 198.6
[M+Na-2H]- 316.09552 171.1
[M]+ 295.12030 170.3
[M]- 295.12140 170.3
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.