CID 18793393

173522-96-8

Structural Information

Molecular Formula
C15H15N3O5S
SMILES
C1C(OC(S1)COC(=O)C2=CC=CC=C2O)N3C=CC(=NC3=O)N
InChI
InChI=1S/C15H15N3O5S/c16-11-5-6-18(15(21)17-11)12-8-24-13(23-12)7-22-14(20)9-3-1-2-4-10(9)19/h1-6,12-13,19H,7-8H2,(H2,16,17,21)
InChIKey
MUAWHSKZVSAWMH-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

349.07324 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.080516 177.2
[M+Na]+ 372.062458 184.9
[M-H]- 348.065964 184.1
[M+NH4]+ 367.107063 187.2
[M+K]+ 388.036398 181.7
[M+H-H2O]+ 332.070500 168.8
[M+HCOO]- 394.071441 191.5
[M+CH3COO]- 408.087091 207.1
[M+Na-2H]- 370.047906 176.4
[M]+ 349.07269142 179.1
[M]- 349.07378858 179.1
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.