CID 490028

Thiazolo[4,5-d]pyrimidin-7(6h)-one, 2,3-dihydro-3,6-dimethyl-5-[(2-oxo-2-phenylethyl)thio]-2-thioxo-

Structural Information

Molecular Formula
C15H13N3O2S3
SMILES
CN1C2=C(C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C)SC1=S
InChI
InChI=1S/C15H13N3O2S3/c1-17-12-11(23-15(17)21)13(20)18(2)14(16-12)22-8-10(19)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
DREZLHQGSISBLZ-UHFFFAOYSA-N
Compound name
3,6-dimethyl-5-phenacylsulfanyl-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

363.017 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02428 176.8
[M+Na]+ 386.00622 190.7
[M-H]- 362.00972 181.3
[M+NH4]+ 381.05082 190.0
[M+K]+ 401.98016 181.6
[M+H-H2O]+ 346.01426 171.1
[M+HCOO]- 408.01520 183.0
[M+CH3COO]- 422.03085 187.5
[M+Na-2H]- 383.99167 175.9
[M]+ 363.01645 183.6
[M]- 363.01755 183.6
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.