CID 135624064

Brn 4808934

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₃

SMILES

C/C(=C(/C(=O)NC)\N=NC1=CC=C(C=C1)OC)/O

InChI

InChI=1S/C12H15N3O3/c1-8(16)11(12(17)13-2)15-14-9-4-6-10(18-3)7-5-9/h4-7,16H,1-3H3,(H,13,17)/b11-8+,15-14?

InChIKey

PTZZORNJUQNDTM-QDMIXUNLSA-N

Compound name

(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-N-methylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.11134 Da
Monoisotopic Mass: 2.3
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]+	250.118616	156.4
[M+Na]+	272.100558	161.3
[M-H]-	248.104064	161.3
[M+NH4]+	267.145163	173.1
[M+K]+	288.074498	161.0
[M+H-H2O]+	232.108600	148.7
[M+HCOO]-	294.109541	182.8
[M+CH3COO]-	308.125191	203.4
[M+Na-2H]-	270.086006	160.0
[M]+	249.11079142	157.4
[M]-	249.11188858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.