CID 3000371

3'-o-thiocarb-t

Structural Information

Molecular Formula
C11H15N3O5S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC(=S)N
InChI
InChI=1S/C11H15N3O5S/c1-5-3-14(11(17)13-9(5)16)8-2-6(19-10(12)20)7(4-15)18-8/h3,6-8,15H,2,4H2,1H3,(H2,12,20)(H,13,16,17)/t6-,7+,8+/m0/s1
InChIKey
KCOZCWQLVCLQIR-XLPZGREQSA-N
Compound name
O-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07324 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08052 165.9
[M+Na]+ 324.06246 174.5
[M-H]- 300.06596 168.6
[M+NH4]+ 319.10706 177.8
[M+K]+ 340.03640 171.0
[M+H-H2O]+ 284.07050 159.2
[M+HCOO]- 346.07144 178.5
[M+CH3COO]- 360.08709 197.6
[M+Na-2H]- 322.04791 163.3
[M]+ 301.07269 166.7
[M]- 301.07379 166.7
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.