CID 135403594

141622-32-4

Structural Information

Molecular Formula
C12H9N3OS2
SMILES
CC1=NC2=C(C(=O)N1)SC(=S)N2C3=CC=CC=C3
InChI
InChI=1S/C12H9N3OS2/c1-7-13-10-9(11(16)14-7)18-12(17)15(10)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
InChIKey
SBNWDVUYFCQHKQ-UHFFFAOYSA-N
Compound name
5-methyl-3-phenyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0187 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02598 155.9
[M+Na]+ 298.00792 170.8
[M-H]- 274.01142 160.2
[M+NH4]+ 293.05252 172.2
[M+K]+ 313.98186 162.6
[M+H-H2O]+ 258.01596 149.9
[M+HCOO]- 320.01690 168.0
[M+CH3COO]- 334.03255 168.7
[M+Na-2H]- 295.99337 157.8
[M]+ 275.01815 160.2
[M]- 275.01925 160.2
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.