CID 507029

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

Structural Information

Molecular Formula
C22H18N2O2S
SMILES
C1=CC=C(C=C1)C2C(N(C=N2)C(=S)C3=C(C=C(C=C3)O)O)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2S/c25-17-11-12-18(19(26)13-17)22(27)24-14-23-20(15-7-3-1-4-8-15)21(24)16-9-5-2-6-10-16/h1-14,20-21,25-26H
InChIKey
PVFQNYZSRCAFHW-UHFFFAOYSA-N
Compound name
(2,4-dihydroxyphenyl)-(4,5-diphenyl-4,5-dihydroimidazol-1-yl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.1089 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11618 188.2
[M+Na]+ 397.09812 196.1
[M-H]- 373.10162 196.5
[M+NH4]+ 392.14272 198.2
[M+K]+ 413.07206 188.0
[M+H-H2O]+ 357.10616 179.1
[M+HCOO]- 419.10710 201.2
[M+CH3COO]- 433.12275 197.3
[M+Na-2H]- 395.08357 186.0
[M]+ 374.10835 187.1
[M]- 374.10945 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.