CID 484532

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

Structural Information

Molecular Formula
C17H12N4OS2
SMILES
C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)N)C4=CC=CC=C4)SC2=S
InChI
InChI=1S/C17H12N4OS2/c18-16-19-14-13(15(22)21(16)12-9-5-2-6-10-12)24-17(23)20(14)11-7-3-1-4-8-11/h1-10H,(H2,18,19)
InChIKey
KWUFAQZTFRWHGA-UHFFFAOYSA-N
Compound name
5-amino-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

352.04526 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05254 177.7
[M+Na]+ 375.03448 192.3
[M-H]- 351.03798 185.8
[M+NH4]+ 370.07908 190.7
[M+K]+ 391.00842 182.6
[M+H-H2O]+ 335.04252 170.1
[M+HCOO]- 397.04346 191.5
[M+CH3COO]- 411.05911 189.3
[M+Na-2H]- 373.01993 179.7
[M]+ 352.04471 181.7
[M]- 352.04581 181.7
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.