CID 135535928

Schembl8434599

Structural Information

Molecular Formula
C10H12N4O2S
SMILES
CC(=CCN1C2=C(C(=O)NC(=N2)N)SC1=O)C
InChI
InChI=1S/C10H12N4O2S/c1-5(2)3-4-14-7-6(17-10(14)16)8(15)13-9(11)12-7/h3H,4H2,1-2H3,(H3,11,12,13,15)
InChIKey
KPWSRGAFNLUOSC-UHFFFAOYSA-N
Compound name
5-amino-3-(3-methylbut-2-enyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

252.0681 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07538 154.0
[M+Na]+ 275.05732 166.6
[M-H]- 251.06082 154.6
[M+NH4]+ 270.10192 170.3
[M+K]+ 291.03126 160.7
[M+H-H2O]+ 235.06536 147.6
[M+HCOO]- 297.06630 170.1
[M+CH3COO]- 311.08195 192.0
[M+Na-2H]- 273.04277 155.2
[M]+ 252.06755 157.3
[M]- 252.06865 157.3
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