CID 485167

5-[(2-oxo-2-phenylethyl)sulfanyl]-3,6-diphenyl-2-sulfanylidene-2h,3h,6h,7h-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C25H17N3O2S3
SMILES
C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SC(=S)N3C5=CC=CC=C5
InChI
InChI=1S/C25H17N3O2S3/c29-20(17-10-4-1-5-11-17)16-32-24-26-22-21(23(30)28(24)19-14-8-3-9-15-19)33-25(31)27(22)18-12-6-2-7-13-18/h1-15H,16H2
InChIKey
LFRILQNVJGPDLD-UHFFFAOYSA-N
Compound name
5-phenacylsulfanyl-3,6-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

487.04828 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.05556 210.6
[M+Na]+ 510.03750 223.4
[M-H]- 486.04100 220.2
[M+NH4]+ 505.08210 217.9
[M+K]+ 526.01144 211.9
[M+H-H2O]+ 470.04554 202.8
[M+HCOO]- 532.04648 217.1
[M+CH3COO]- 546.06213 218.9
[M+Na-2H]- 508.02295 210.7
[M]+ 487.04773 215.4
[M]- 487.04883 215.4
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.