CID 3006135

3-allyl-6h-thiazolo[4,5-d]pyrimidine-2,7-dithione

Structural Information

Molecular Formula
C8H7N3S3
SMILES
C=CCN1C2=C(C(=S)N=CN2)SC1=S
InChI
InChI=1S/C8H7N3S3/c1-2-3-11-6-5(14-8(11)13)7(12)10-4-9-6/h2,4H,1,3H2,(H,9,10,12)
InChIKey
SNFAFVQLTMGBOJ-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-4H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.98021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98749 143.6
[M+Na]+ 263.96943 158.3
[M-H]- 239.97293 143.8
[M+NH4]+ 259.01403 161.2
[M+K]+ 279.94337 149.0
[M+H-H2O]+ 223.97747 139.2
[M+HCOO]- 285.97841 149.5
[M+CH3COO]- 299.99406 155.7
[M+Na-2H]- 261.95488 144.1
[M]+ 240.97966 145.9
[M]- 240.98076 145.9
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.