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]+ 350.08052 177.2
[M+Na]+ 372.06246 184.9
[M-H]- 348.06596 184.1
[M+NH4]+ 367.10706 187.2
[M+K]+ 388.03640 181.7
[M+H-H2O]+ 332.07050 168.8
[M+HCOO]- 394.07144 191.5
[M+CH3COO]- 408.08709 207.1
[M+Na-2H]- 370.04791 176.4
[M]+ 349.07269 179.1
[M]- 349.07379 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.