CID 169646

Bicarbamimide, n,2-diphenyl-

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)N2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C14H11N3O2/c18-13-15-17(12-9-5-2-6-10-12)14(19)16(13)11-7-3-1-4-8-11/h1-10H,(H,15,18)

InChIKey

FKMZWZGFVKCYKR-UHFFFAOYSA-N

Compound name

1,4-diphenyl-1,2,4-triazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 16
Patents: 253.08513 Da
Monoisotopic Mass: 2.4
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]+	254.09241	154.6
[M+Na]+	276.07435	165.2
[M-H]-	252.07785	160.2
[M+NH4]+	271.11895	168.4
[M+K]+	292.04829	159.1
[M+H-H2O]+	236.08239	144.9
[M+HCOO]-	298.08333	176.3
[M+CH3COO]-	312.09898	166.9
[M+Na-2H]-	274.05980	159.5
[M]+	253.08458	154.1
[M]-	253.08568	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe