CID 3059255

1-ethyl-3-methyl-5-(3,4-dimethoxyphenyl)biuret

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₄

SMILES

CCCNC(=O)N(C1=CC(=C(C=C1)OC)OC)C(=O)N

InChI

InChI=1S/C13H19N3O4/c1-4-7-15-13(18)16(12(14)17)9-5-6-10(19-2)11(8-9)20-3/h5-6,8H,4,7H2,1-3H3,(H2,14,17)(H,15,18)

InChIKey

MWCRAKFASCCORX-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.13754 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]+	282.144816	165.0
[M+Na]+	304.126758	170.0
[M-H]-	280.130264	169.5
[M+NH4]+	299.171363	180.5
[M+K]+	320.100698	170.4
[M+H-H2O]+	264.134800	157.0
[M+HCOO]-	326.135741	190.4
[M+CH3COO]-	340.151391	210.1
[M+Na-2H]-	302.112206	166.4
[M]+	281.13699142	167.8
[M]-	281.13808858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe