CID 54686156

Cambridge id 5532240

Structural Information

Molecular Formula
C17H13N3O6
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O)O
InChI
InChI=1S/C17H13N3O6/c1-19-12-5-3-2-4-10(12)15(22)14(17(19)24)16(23)18-11-7-6-9(20(25)26)8-13(11)21/h2-8,21-22H,1H3,(H,18,23)
InChIKey
HNIHDLSPPIOXPI-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-hydroxy-4-nitrophenyl)-1-methyl-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

355.08044 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08772 175.7
[M+Na]+ 378.06966 183.0
[M-H]- 354.07316 180.5
[M+NH4]+ 373.11426 185.5
[M+K]+ 394.04360 174.9
[M+H-H2O]+ 338.07770 171.3
[M+HCOO]- 400.07864 196.1
[M+CH3COO]- 414.09429 207.4
[M+Na-2H]- 376.05511 181.9
[M]+ 355.07989 175.1
[M]- 355.08099 175.1
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.