CID 673734

2-(4-ethoxyphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C18H15NO3
SMILES
CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C18H15NO3/c1-2-22-13-9-7-12(8-10-13)17-11-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-11H,2H2,1H3,(H,20,21)
InChIKey
IHEXTMYSORWWOQ-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6
Patents

293.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.112476 167.1
[M+Na]+ 316.094418 175.3
[M-H]- 292.097924 172.2
[M+NH4]+ 311.139023 181.2
[M+K]+ 332.068358 170.5
[M+H-H2O]+ 276.102460 158.2
[M+HCOO]- 338.103401 186.7
[M+CH3COO]- 352.119051 201.6
[M+Na-2H]- 314.079866 172.4
[M]+ 293.10465142 168.9
[M]- 293.10574858 168.9
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

patents stripe