CID 6482219

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

Structural Information

Molecular Formula
C12H10N4OS2
SMILES
CC1=NC2=C(C(=O)N1N)SC(=S)N2C3=CC=CC=C3
InChI
InChI=1S/C12H10N4OS2/c1-7-14-10-9(11(17)16(7)13)19-12(18)15(10)8-5-3-2-4-6-8/h2-6H,13H2,1H3
InChIKey
ISUXQOLGTXXSJZ-UHFFFAOYSA-N
Compound name
6-amino-5-methyl-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

290.0296 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03688 160.4
[M+Na]+ 313.01882 175.6
[M-H]- 289.02232 165.7
[M+NH4]+ 308.06342 176.4
[M+K]+ 328.99276 167.5
[M+H-H2O]+ 273.02686 154.0
[M+HCOO]- 335.02780 174.2
[M+CH3COO]- 349.04345 173.2
[M+Na-2H]- 311.00427 162.0
[M]+ 290.02905 165.3
[M]- 290.03015 165.3
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.