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

No literature data available for this compound.

Patent stripe

patents stripe