CID 6887447

Lassbio-1243

Structural Information

Molecular Formula

C₁₂H₁₀N₄O

SMILES

C1=CC=C(C=C1)/C=N/NC(=O)C2=NC=CN=C2

InChI

InChI=1S/C12H10N4O/c17-12(11-9-13-6-7-14-11)16-15-8-10-4-2-1-3-5-10/h1-9H,(H,16,17)/b15-8+

InChIKey

IXDUNTSAFDFMPK-OVCLIPMQSA-N

Compound name

N-[(E)-benzylideneamino]pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 226.08546 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.09274	148.4
[M+Na]+	249.07468	154.9
[M-H]-	225.07818	153.5
[M+NH4]+	244.11928	163.1
[M+K]+	265.04862	151.6
[M+H-H2O]+	209.08272	138.5
[M+HCOO]-	271.08366	174.0
[M+CH3COO]-	285.09931	193.6
[M+Na-2H]-	247.06013	158.0
[M]+	226.08491	147.4
[M]-	226.08601	147.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.