CID 5402190

Pyrazine-2-carboxylic acid (4-methyl-benzylidene)-hydrazide

Structural Information

Molecular Formula
C13H12N4O
SMILES
CC1=CC=C(C=C1)/C=N\NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C13H12N4O/c1-10-2-4-11(5-3-10)8-16-17-13(18)12-9-14-6-7-15-12/h2-9H,1H3,(H,17,18)/b16-8-
InChIKey
JWOZQYYTUNWYCE-PXNMLYILSA-N
Compound name
N-[(Z)-(4-methylphenyl)methylideneamino]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.108376 153.5
[M+Na]+ 263.090318 160.6
[M-H]- 239.093824 158.9
[M+NH4]+ 258.134923 168.0
[M+K]+ 279.064258 157.0
[M+H-H2O]+ 223.098360 143.6
[M+HCOO]- 285.099301 178.7
[M+CH3COO]- 299.114951 197.8
[M+Na-2H]- 261.075766 161.8
[M]+ 240.10055142 153.3
[M]- 240.10164858 153.3
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.