CID 9604859

N-[(e)-(4-chlorophenyl)methyleneamino]-n-(pyridine-4-carbonyl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C18H12ClN5O2
SMILES
C1=CC(=CC=C1/C=N/N(C(=O)C2=CC=NC=C2)C(=O)C3=NC=CN=C3)Cl
InChI
InChI=1S/C18H12ClN5O2/c19-15-3-1-13(2-4-15)11-23-24(17(25)14-5-7-20-8-6-14)18(26)16-12-21-9-10-22-16/h1-12H/b23-11+
InChIKey
RWUQVGNGULQEMW-FOKLQQMPSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-N-(pyridine-4-carbonyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.06796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07524 181.9
[M+Na]+ 388.05718 188.6
[M-H]- 364.06068 189.8
[M+NH4]+ 383.10178 190.4
[M+K]+ 404.03112 183.3
[M+H-H2O]+ 348.06522 169.6
[M+HCOO]- 410.06616 200.4
[M+CH3COO]- 424.08181 219.9
[M+Na-2H]- 386.04263 188.2
[M]+ 365.06741 184.7
[M]- 365.06851 184.7
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.