CID 6907483

3,4-dimethoxybenzaldehyde semicarbazone

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)N)OC

InChI

InChI=1S/C10H13N3O3/c1-15-8-4-3-7(5-9(8)16-2)6-12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)/b12-6+

InChIKey

PZGBQOUDZACWFL-WUXMJOGZSA-N

Compound name

[(E)-(3,4-dimethoxyphenyl)methylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.09569 Da
Monoisotopic Mass: 0.5
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]+	224.102966	147.1
[M+Na]+	246.084908	154.0
[M-H]-	222.088414	152.0
[M+NH4]+	241.129513	165.1
[M+K]+	262.058848	153.3
[M+H-H2O]+	206.092950	139.7
[M+HCOO]-	268.093891	175.3
[M+CH3COO]-	282.109541	197.7
[M+Na-2H]-	244.070356	152.5
[M]+	223.09514142	148.8
[M]-	223.09623858	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.