CID 739077

Enamine_001289

Structural Information

Molecular Formula

C₁₅H₁₄N₄

SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)N)NC3=CC=CC=C3

InChI

InChI=1S/C15H14N4/c16-15-17-14(12-7-3-1-4-8-12)11-19(15)18-13-9-5-2-6-10-13/h1-11,18H,(H2,16,17)

InChIKey

YBKJMOUSYMEVNR-UHFFFAOYSA-N

Compound name

1-N,4-diphenylimidazole-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 7
Patents: 250.12184 Da
Monoisotopic Mass: 3.3
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]+	251.129116	154.5
[M+Na]+	273.111058	162.1
[M-H]-	249.114564	161.7
[M+NH4]+	268.155663	169.5
[M+K]+	289.084998	156.5
[M+H-H2O]+	233.119100	144.6
[M+HCOO]-	295.120041	179.6
[M+CH3COO]-	309.135691	166.5
[M+Na-2H]-	271.096506	160.7
[M]+	250.12129142	151.7
[M]-	250.12238858	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe