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

4
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

literature stripe

Patent stripe

patents stripe