CID 718631

2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C19H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C19H17NO5/c1-23-16-8-11(9-17(24-2)18(16)25-3)15-10-13(19(21)22)12-6-4-5-7-14(12)20-15/h4-10H,1-3H3,(H,21,22)
InChIKey
HSUYVVQQTJCCFA-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

339.1107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 177.6
[M+Na]+ 362.09992 186.6
[M-H]- 338.10342 183.3
[M+NH4]+ 357.14452 190.2
[M+K]+ 378.07386 183.4
[M+H-H2O]+ 322.10796 168.4
[M+HCOO]- 384.10890 197.1
[M+CH3COO]- 398.12455 211.4
[M+Na-2H]- 360.08537 181.1
[M]+ 339.11015 183.4
[M]- 339.11125 183.4
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