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]+ 296.128126 167.9
[M+Na]+ 318.110068 176.6
[M-H]- 294.113574 172.3
[M+NH4]+ 313.154673 183.4
[M+K]+ 334.084008 170.9
[M+H-H2O]+ 278.118110 160.3
[M+HCOO]- 340.119051 188.4
[M+CH3COO]- 354.134701 198.6
[M+Na-2H]- 316.095516 171.1
[M]+ 295.12030142 170.3
[M]- 295.12139858 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

literature stripe

Patent stripe

No patent data available for this compound.