CID 54719942

Nsc649570

Structural Information

Molecular Formula
C21H16N2O6
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)/C=C/C(=O)CC(=O)C(=O)NC3=CC(=CC=C3)O)O
InChI
InChI=1S/C21H16N2O6/c24-13-5-3-4-12(10-13)22-21(29)18(26)11-14(25)8-9-16-19(27)15-6-1-2-7-17(15)23-20(16)28/h1-10,24H,11H2,(H,22,29)(H2,23,27,28)/b9-8+
InChIKey
XIWXNBKRFZXUMO-CMDGGOBGSA-N
Compound name
(E)-6-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-(3-hydroxyphenyl)-2,4-dioxohex-5-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.10083 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.10811 188.3
[M+Na]+ 415.09005 194.0
[M-H]- 391.09355 190.7
[M+NH4]+ 410.13465 196.0
[M+K]+ 431.06399 188.6
[M+H-H2O]+ 375.09809 179.3
[M+HCOO]- 437.09903 204.0
[M+CH3COO]- 451.11468 217.6
[M+Na-2H]- 413.07550 189.3
[M]+ 392.10028 187.4
[M]- 392.10138 187.4
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.