CID 16773791

926259-99-6

Structural Information

Molecular Formula

C₁₁H₁₀N₄O

SMILES

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

InChI

InChI=1S/C11H10N4O/c12-8-3-1-2-4-9(8)15-11(16)10-7-13-5-6-14-10/h1-7H,12H2,(H,15,16)

InChIKey

LMWPVSNHKACEKW-UHFFFAOYSA-N

Compound name

N-(2-aminophenyl)pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 12
Patents: 214.08546 Da
Monoisotopic Mass: 0.3
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]+	215.09274	145.7
[M+Na]+	237.07468	152.9
[M-H]-	213.07818	149.5
[M+NH4]+	232.11928	160.4
[M+K]+	253.04862	149.2
[M+H-H2O]+	197.08272	136.6
[M+HCOO]-	259.08366	169.3
[M+CH3COO]-	273.09931	190.2
[M+Na-2H]-	235.06013	153.6
[M]+	214.08491	142.7
[M]-	214.08601	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe