CID 135508877

5-amino-3-((z)-4-hydroxy-but-2-enyl)-3h,6h-thiazolo[4,5-d]pyrimidine-2,7-dione

Structural Information

Molecular Formula
C9H10N4O3S
SMILES
C(/C=C\CO)N1C2=C(C(=O)NC(=N2)N)SC1=O
InChI
InChI=1S/C9H10N4O3S/c10-8-11-6-5(7(15)12-8)17-9(16)13(6)3-1-2-4-14/h1-2,14H,3-4H2,(H3,10,11,12,15)/b2-1-
InChIKey
RWKXJNXJKVPQAX-UPHRSURJSA-N
Compound name
5-amino-3-[(Z)-4-hydroxybut-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

3
Patents

254.04736 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05464 152.3
[M+Na]+ 277.03658 164.9
[M-H]- 253.04008 151.5
[M+NH4]+ 272.08118 167.7
[M+K]+ 293.01052 158.4
[M+H-H2O]+ 237.04462 146.0
[M+HCOO]- 299.04556 168.4
[M+CH3COO]- 313.06121 188.1
[M+Na-2H]- 275.02203 154.8
[M]+ 254.04681 155.4
[M]- 254.04791 155.4
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.