CID 484526

5-methylsulfanyl-3,6-diphenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C18H13N3OS3
SMILES
CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2C4=CC=CC=C4
InChI
InChI=1S/C18H13N3OS3/c1-24-17-19-15-14(16(22)21(17)13-10-6-3-7-11-13)25-18(23)20(15)12-8-4-2-5-9-12/h2-11H,1H3
InChIKey
HZVMVUVIKFKQGS-UHFFFAOYSA-N
Compound name
5-methylsulfanyl-3,6-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.02206 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.02934 182.8
[M+Na]+ 406.01128 198.1
[M-H]- 382.01478 190.5
[M+NH4]+ 401.05588 195.3
[M+K]+ 421.98522 187.4
[M+H-H2O]+ 366.01932 176.4
[M+HCOO]- 428.02026 190.7
[M+CH3COO]- 442.03591 193.7
[M+Na-2H]- 403.99673 183.6
[M]+ 383.02151 188.1
[M]- 383.02261 188.1
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.