CID 135453875

T01132

Structural Information

Molecular Formula
C10H12N4O2S
SMILES
CC/C=C\CN1C2=C(C(=O)NC(=N2)N)SC1=O
InChI
InChI=1S/C10H12N4O2S/c1-2-3-4-5-14-7-6(17-10(14)16)8(15)13-9(11)12-7/h3-4H,2,5H2,1H3,(H3,11,12,13,15)/b4-3-
InChIKey
QNXPFPXSBCCNAJ-ARJAWSKDSA-N
Compound name
5-amino-3-[(Z)-pent-2-enyl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

252.0681 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07538 153.6
[M+Na]+ 275.05732 166.5
[M-H]- 251.06082 154.1
[M+NH4]+ 270.10192 170.0
[M+K]+ 291.03126 160.1
[M+H-H2O]+ 235.06536 147.0
[M+HCOO]- 297.06630 170.7
[M+CH3COO]- 311.08195 191.1
[M+Na-2H]- 273.04277 155.8
[M]+ 252.06755 157.5
[M]- 252.06865 157.5
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