CID 507027

4-[(2-phenyl(2-imidazolinyl))thioxomethyl]benzene-1,3-diol

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂S

SMILES

C1CN(C(=N1)C2=CC=CC=C2)C(=S)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C16H14N2O2S/c19-12-6-7-13(14(20)10-12)16(21)18-9-8-17-15(18)11-4-2-1-3-5-11/h1-7,10,19-20H,8-9H2

InChIKey

VXTVYDIXSFDTGD-UHFFFAOYSA-N

Compound name

(2,4-dihydroxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 298.0776 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]+	299.084876	167.5
[M+Na]+	321.066818	175.9
[M-H]-	297.070324	172.9
[M+NH4]+	316.111423	181.0
[M+K]+	337.040758	169.5
[M+H-H2O]+	281.074860	159.7
[M+HCOO]-	343.075801	181.2
[M+CH3COO]-	357.091451	178.0
[M+Na-2H]-	319.052266	166.5
[M]+	298.07705142	166.6
[M]-	298.07814858	166.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.