CID 373694

Nsc650586

Structural Information

Molecular Formula
C11H8N4S2
SMILES
C1=CC=C(C=C1)N2C3=NC=NC(=C3SC2=S)N
InChI
InChI=1S/C11H8N4S2/c12-9-8-10(14-6-13-9)15(11(16)17-8)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKey
UBPKNSFYSVPNCV-UHFFFAOYSA-N
Compound name
7-amino-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.01904 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02632 150.8
[M+Na]+ 283.00826 165.1
[M-H]- 259.01176 155.7
[M+NH4]+ 278.05286 167.8
[M+K]+ 298.98220 157.4
[M+H-H2O]+ 243.01630 144.4
[M+HCOO]- 305.01724 164.9
[M+CH3COO]- 319.03289 163.9
[M+Na-2H]- 280.99371 154.3
[M]+ 260.01849 154.0
[M]- 260.01959 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.