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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08488 167.5
[M+Na]+ 321.06682 175.9
[M-H]- 297.07032 172.9
[M+NH4]+ 316.11142 181.0
[M+K]+ 337.04076 169.5
[M+H-H2O]+ 281.07486 159.7
[M+HCOO]- 343.07580 181.2
[M+CH3COO]- 357.09145 178.0
[M+Na-2H]- 319.05227 166.5
[M]+ 298.07705 166.6
[M]- 298.07815 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.