CID 163316

Imafen

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1CN2C(CN=C2N1)C3=CC=CC=C3

InChI

InChI=1S/C11H13N3/c1-2-4-9(5-3-1)10-8-13-11-12-6-7-14(10)11/h1-5,10H,6-8H2,(H,12,13)

InChIKey

VVLJQSJNPKNTAT-UHFFFAOYSA-N

Compound name

5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 457
Patents: 187.11095 Da
Monoisotopic Mass: 0.5
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]+	188.11823	140.9
[M+Na]+	210.10017	148.6
[M-H]-	186.10367	143.2
[M+NH4]+	205.14477	160.2
[M+K]+	226.07411	144.6
[M+H-H2O]+	170.10821	132.5
[M+HCOO]-	232.10915	159.5
[M+CH3COO]-	246.12480	152.9
[M+Na-2H]-	208.08562	144.5
[M]+	187.11040	136.7
[M]-	187.11150	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe