CID 3059262

1-(2-propenyl)-3-methyl-5-phenylbiuret

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

CC(=C)CNC(=O)N(C1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C12H15N3O2/c1-9(2)8-14-12(17)15(11(13)16)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H2,13,16)(H,14,17)

InChIKey

IRBFQUWWDNRULI-UHFFFAOYSA-N

Compound name

1-carbamoyl-3-(2-methylprop-2-enyl)-1-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.11642 Da
Monoisotopic Mass: 2.7
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]+	234.123696	154.9
[M+Na]+	256.105638	158.8
[M-H]-	232.109144	159.1
[M+NH4]+	251.150243	171.7
[M+K]+	272.079578	158.0
[M+H-H2O]+	216.113680	147.3
[M+HCOO]-	278.114621	179.4
[M+CH3COO]-	292.130271	200.3
[M+Na-2H]-	254.091086	156.8
[M]+	233.11587142	152.4
[M]-	233.11696858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.