CID 712678

7-chloro-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3h)-thione

Structural Information

Molecular Formula
C12H8ClN3S2
SMILES
CC1=NC2=C(C(=N1)Cl)SC(=S)N2C3=CC=CC=C3
InChI
InChI=1S/C12H8ClN3S2/c1-7-14-10(13)9-11(15-7)16(12(17)18-9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
IETDFKOHVIAZBS-UHFFFAOYSA-N
Compound name
7-chloro-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

292.9848 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.99208 158.1
[M+Na]+ 315.97402 173.9
[M-H]- 291.97752 163.7
[M+NH4]+ 311.01862 175.4
[M+K]+ 331.94796 165.6
[M+H-H2O]+ 275.98206 152.2
[M+HCOO]- 337.98300 166.7
[M+CH3COO]- 351.99865 171.3
[M+Na-2H]- 313.95947 159.7
[M]+ 292.98425 165.2
[M]- 292.98535 165.2
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.