CID 215083

Bicarbamimide, 2-allyl-3-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

C=CCN1C(=O)NC(=O)N1C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O2/c1-2-8-13-10(15)12-11(16)14(13)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,15,16)

InChIKey

GBYQFPPORAGNAE-UHFFFAOYSA-N

Compound name

1-phenyl-2-prop-2-enyl-1,2,4-triazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.08513 Da
Monoisotopic Mass: 1.5
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]+	218.092406	145.5
[M+Na]+	240.074348	156.5
[M-H]-	216.077854	147.9
[M+NH4]+	235.118953	161.4
[M+K]+	256.048288	151.3
[M+H-H2O]+	200.082390	137.2
[M+HCOO]-	262.083331	167.2
[M+CH3COO]-	276.098981	183.8
[M+Na-2H]-	238.059796	149.8
[M]+	217.08458142	145.9
[M]-	217.08567858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe