CID 135444133

304908-54-1

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₃

SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NC=CN=C2)O

InChI

InChI=1S/C14H14N4O3/c1-2-21-13-7-10(3-4-12(13)19)8-17-18-14(20)11-9-15-5-6-16-11/h3-9,19H,2H2,1H3,(H,18,20)/b17-8+

InChIKey

JPUBLNLFPWMYQG-CAOOACKPSA-N

Compound name

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.1066 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]+	287.113876	164.1
[M+Na]+	309.095818	170.9
[M-H]-	285.099324	168.3
[M+NH4]+	304.140423	176.1
[M+K]+	325.069758	167.5
[M+H-H2O]+	269.103860	154.1
[M+HCOO]-	331.104801	187.9
[M+CH3COO]-	345.120451	203.9
[M+Na-2H]-	307.081266	170.7
[M]+	286.10605142	165.5
[M]-	286.10714858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe