CID 135499477

{2-[(e)-2-(3,4-dihydroxy-phenyl)-vinyl]-8-hydroxy-quinolin-7-yl}-2-oxo-acetic acid

Structural Information

Molecular Formula
C19H13NO6
SMILES
C1=CC(=NC2=C1C=CC(=C2O)C(=O)C(=O)O)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C19H13NO6/c21-14-8-2-10(9-15(14)22)1-5-12-6-3-11-4-7-13(18(24)19(25)26)17(23)16(11)20-12/h1-9,21-23H,(H,25,26)/b5-1+
InChIKey
YIPKQSDSCJCMJZ-ORCRQEGFSA-N
Compound name
2-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07428 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08156 178.5
[M+Na]+ 374.06350 186.2
[M-H]- 350.06700 180.2
[M+NH4]+ 369.10810 188.1
[M+K]+ 390.03744 180.9
[M+H-H2O]+ 334.07154 170.4
[M+HCOO]- 396.07248 192.9
[M+CH3COO]- 410.08813 206.4
[M+Na-2H]- 372.04895 179.8
[M]+ 351.07373 178.4
[M]- 351.07483 178.4
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

No patent data available for this compound.