CID 6482221

5,6-dimethyl-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C13H11N3OS2
SMILES
CC1=NC2=C(C(=O)N1C)SC(=S)N2C3=CC=CC=C3
InChI
InChI=1S/C13H11N3OS2/c1-8-14-11-10(12(17)15(8)2)19-13(18)16(11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey
ZNTRXPSMUIUEBC-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-phenyl-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

289.03436 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04164 160.5
[M+Na]+ 312.02358 176.2
[M-H]- 288.02708 166.4
[M+NH4]+ 307.06818 177.2
[M+K]+ 327.99752 168.6
[M+H-H2O]+ 272.03162 154.2
[M+HCOO]- 334.03256 173.7
[M+CH3COO]- 348.04821 173.8
[M+Na-2H]- 310.00903 161.6
[M]+ 289.03381 167.3
[M]- 289.03491 167.3
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.