CID 464744

181507-38-0

Structural Information

Molecular Formula
C11H15N3O4S
SMILES
CC1=CN(C(=O)NC1=O)CCN2C(SCC2=O)CO
InChI
InChI=1S/C11H15N3O4S/c1-7-4-13(11(18)12-10(7)17)2-3-14-8(16)6-19-9(14)5-15/h4,9,15H,2-3,5-6H2,1H3,(H,12,17,18)
InChIKey
XXSFCXSXESUXIX-UHFFFAOYSA-N
Compound name
1-[2-[2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.07834 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08562 162.3
[M+Na]+ 308.06756 172.3
[M-H]- 284.07106 163.4
[M+NH4]+ 303.11216 175.6
[M+K]+ 324.04150 167.0
[M+H-H2O]+ 268.07560 155.3
[M+HCOO]- 330.07654 174.9
[M+CH3COO]- 344.09219 192.8
[M+Na-2H]- 306.05301 160.0
[M]+ 285.07779 164.0
[M]- 285.07889 164.0
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.