CID 9574918

N-[(e)-(4-acetamidophenyl)methyleneamino]pyrazine-2-carboxamide

Structural Information

Molecular Formula

C₁₄H₁₃N₅O₂

SMILES

CC(=O)NC1=CC=C(C=C1)/C=N/NC(=O)C2=NC=CN=C2

InChI

InChI=1S/C14H13N5O2/c1-10(20)18-12-4-2-11(3-5-12)8-17-19-14(21)13-9-15-6-7-16-13/h2-9H,1H3,(H,18,20)(H,19,21)/b17-8+

InChIKey

DTRZFNJHYIQZCX-CAOOACKPSA-N

Compound name

N-[(E)-(4-acetamidophenyl)methylideneamino]pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.10693 Da
Monoisotopic Mass: 0.2
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]+	284.114206	163.6
[M+Na]+	306.096148	169.3
[M-H]-	282.099654	169.0
[M+NH4]+	301.140753	175.8
[M+K]+	322.070088	166.1
[M+H-H2O]+	266.104190	153.2
[M+HCOO]-	328.105131	189.0
[M+CH3COO]-	342.120781	207.5
[M+Na-2H]-	304.081596	170.8
[M]+	283.10638142	163.1
[M]-	283.10747858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.