CID 2732243

Akos017263377

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₃

SMILES

CC(=NNC(=O)N)CC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C12H17N3O3/c1-8(14-15-12(13)16)6-9-4-5-10(17-2)11(7-9)18-3/h4-5,7H,6H2,1-3H3,(H3,13,15,16)

InChIKey

NBVRXRKMSBTYQT-UHFFFAOYSA-N

Compound name

[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 251.127 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]+	252.134276	157.1
[M+Na]+	274.116218	162.9
[M-H]-	250.119724	161.8
[M+NH4]+	269.160823	173.9
[M+K]+	290.090158	162.3
[M+H-H2O]+	234.124260	149.4
[M+HCOO]-	296.125201	183.6
[M+CH3COO]-	310.140851	204.6
[M+Na-2H]-	272.101666	160.1
[M]+	251.12645142	158.9
[M]-	251.12754858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.