CID 54688250

3-quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ((1-methyl-5-nitro-1h-imidazol-2-yl)methylene)hydrazide

Structural Information

Molecular Formula
C16H14N6O5
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N/N=C/C3=NC=C(N3C)[N+](=O)[O-])O
InChI
InChI=1S/C16H14N6O5/c1-20-10-6-4-3-5-9(10)14(23)13(16(20)25)15(24)19-18-7-11-17-8-12(21(11)2)22(26)27/h3-8,23H,1-2H3,(H,19,24)/b18-7+
InChIKey
QDQMKSIEABDYPN-CNHKJKLMSA-N
Compound name
4-hydroxy-1-methyl-N-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10257 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10985 180.6
[M+Na]+ 393.09179 189.5
[M-H]- 369.09529 186.5
[M+NH4]+ 388.13639 190.2
[M+K]+ 409.06573 181.1
[M+H-H2O]+ 353.09983 175.2
[M+HCOO]- 415.10077 204.9
[M+CH3COO]- 429.11642 215.3
[M+Na-2H]- 391.07724 187.9
[M]+ 370.10202 183.1
[M]- 370.10312 183.1
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.