CID 6475025

Chembl418303

Structural Information

Molecular Formula
C19H15NO4
SMILES
CC1=NC2=C(C=CC=C2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)C=C1
InChI
InChI=1S/C19H15NO4/c1-12-5-8-14-3-2-4-17(19(14)20-12)24-18(23)10-7-13-6-9-15(21)16(22)11-13/h2-11,21-22H,1H3/b10-7+
InChIKey
UMTKJZMUVSNGQY-JXMROGBWSA-N
Compound name
(2-methylquinolin-8-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

321.1001 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 174.3
[M+Na]+ 344.08932 182.8
[M-H]- 320.09282 178.4
[M+NH4]+ 339.13392 186.8
[M+K]+ 360.06326 177.2
[M+H-H2O]+ 304.09736 165.7
[M+HCOO]- 366.09830 192.4
[M+CH3COO]- 380.11395 203.7
[M+Na-2H]- 342.07477 178.0
[M]+ 321.09955 175.7
[M]- 321.10065 175.7
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.