CID 335306

73109-44-1

Structural Information

Molecular Formula
C9H10N4S2
SMILES
CSC1=NC2=C(N=CN=C2S1)NCC=C
InChI
InChI=1S/C9H10N4S2/c1-3-4-10-7-6-8(12-5-11-7)15-9(13-6)14-2/h3,5H,1,4H2,2H3,(H,10,11,12)
InChIKey
LXXNTYGWFSTRKW-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

238.03468 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04196 145.5
[M+Na]+ 261.02390 158.0
[M-H]- 237.02740 147.1
[M+NH4]+ 256.06850 163.6
[M+K]+ 276.99784 152.0
[M+H-H2O]+ 221.03194 139.2
[M+HCOO]- 283.03288 159.1
[M+CH3COO]- 297.04853 158.3
[M+Na-2H]- 259.00935 148.9
[M]+ 238.03413 150.7
[M]- 238.03523 150.7
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

patents stripe