CID 9604876

2-pyrazinecarboxylic acid, 2-[(1e)-2-furanylmethylene]-1-(4-pyridinylcarbonyl)hydrazide

Structural Information

Molecular Formula
C16H11N5O3
SMILES
C1=COC(=C1)/C=N/N(C(=O)C2=CC=NC=C2)C(=O)C3=NC=CN=C3
InChI
InChI=1S/C16H11N5O3/c22-15(12-3-5-17-6-4-12)21(20-10-13-2-1-9-24-13)16(23)14-11-18-7-8-19-14/h1-11H/b20-10+
InChIKey
XAIGXFAWZHTFRA-KEBDBYFISA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-N-(pyridine-4-carbonyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.08618 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09346 171.4
[M+Na]+ 344.07540 177.2
[M-H]- 320.07890 180.6
[M+NH4]+ 339.12000 181.1
[M+K]+ 360.04934 175.9
[M+H-H2O]+ 304.08344 159.5
[M+HCOO]- 366.08438 195.4
[M+CH3COO]- 380.10003 211.4
[M+Na-2H]- 342.06085 177.4
[M]+ 321.08563 173.6
[M]- 321.08673 173.6
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.