CID 9604860

[3-[(e)-[pyrazine-2-carbonyl(pyridine-4-carbonyl)hydrazono]methyl]phenyl]azinic acid

Structural Information

Molecular Formula
C18H12N6O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/N(C(=O)C2=CC=NC=C2)C(=O)C3=NC=CN=C3
InChI
InChI=1S/C18H12N6O4/c25-17(14-4-6-19-7-5-14)23(18(26)16-12-20-8-9-21-16)22-11-13-2-1-3-15(10-13)24(27)28/h1-12H/b22-11+
InChIKey
QKVVSRYGPWIQKU-SSDVNMTOSA-N
Compound name
N-[(E)-(3-nitrophenyl)methylideneamino]-N-(pyridine-4-carbonyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.092 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09928 181.6
[M+Na]+ 399.08122 184.9
[M-H]- 375.08472 189.7
[M+NH4]+ 394.12582 187.3
[M+K]+ 415.05516 177.9
[M+H-H2O]+ 359.08926 173.0
[M+HCOO]- 421.09020 205.4
[M+CH3COO]- 435.10585 217.4
[M+Na-2H]- 397.06667 190.8
[M]+ 376.09145 180.1
[M]- 376.09255 180.1
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.