CID 464742

181507-36-8

Structural Information

Molecular Formula
C10H14N4O3S
SMILES
C1C(=O)N(C(S1)CO)CCN2C=CC(=NC2=O)N
InChI
InChI=1S/C10H14N4O3S/c11-7-1-2-13(10(17)12-7)3-4-14-8(16)6-18-9(14)5-15/h1-2,9,15H,3-6H2,(H2,11,12,17)
InChIKey
GDNFOYSNVGURSR-UHFFFAOYSA-N
Compound name
3-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.07867 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08595 158.7
[M+Na]+ 293.06789 167.8
[M-H]- 269.07139 160.4
[M+NH4]+ 288.11249 172.5
[M+K]+ 309.04183 163.2
[M+H-H2O]+ 253.07593 150.9
[M+HCOO]- 315.07687 173.2
[M+CH3COO]- 329.09252 193.9
[M+Na-2H]- 291.05334 157.6
[M]+ 270.07812 159.1
[M]- 270.07922 159.1
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.