CID 3066650

Brn 6419656

Structural Information

Molecular Formula

C₁₇H₁₄N₄S

SMILES

C1CN=C(N1)C2=NN=C(S2)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C17H14N4S/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)16-20-21-17(22-16)15-18-10-11-19-15/h1-9H,10-11H2,(H,18,19)

InChIKey

LXNZPOAVZPZLQB-UHFFFAOYSA-N

Compound name

2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 306.0939 Da
Monoisotopic Mass: 2.9
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]+	307.101176	167.8
[M+Na]+	329.083118	177.6
[M-H]-	305.086624	175.4
[M+NH4]+	324.127723	180.6
[M+K]+	345.057058	170.5
[M+H-H2O]+	289.091160	158.3
[M+HCOO]-	351.092101	183.1
[M+CH3COO]-	365.107751	178.7
[M+Na-2H]-	327.068566	167.2
[M]+	306.09335142	166.9
[M]-	306.09444858	166.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.