CID 11046527

2-butenoic acid, 4,4'-(2,4-quinolinediyl)bis[2-hydroxy-4-oxo-, (2z,2'z)-

Structural Information

Molecular Formula
C17H11NO8
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)/C(=C/C(=O)C(=O)O)/O)/C(=C/C(=O)C(=O)O)/O
InChI
InChI=1S/C17H11NO8/c19-12(6-14(21)16(23)24)9-5-11(13(20)7-15(22)17(25)26)18-10-4-2-1-3-8(9)10/h1-7,19-20H,(H,23,24)(H,25,26)/b12-6-,13-7-
InChIKey
HHBSEHHTLVCOKQ-QXFGSWAMSA-N
Compound name
(Z)-4-[2-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]quinolin-4-yl]-4-hydroxy-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.04846 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.05574 173.5
[M+Na]+ 380.03768 177.8
[M-H]- 356.04118 171.0
[M+NH4]+ 375.08228 181.9
[M+K]+ 396.01162 175.3
[M+H-H2O]+ 340.04572 166.8
[M+HCOO]- 402.04666 184.6
[M+CH3COO]- 416.06231 206.0
[M+Na-2H]- 378.02313 171.6
[M]+ 357.04791 172.5
[M]- 357.04901 172.5
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

No patent data available for this compound.