CID 3005204

Nsc682140

Structural Information

Molecular Formula
C9H13N3O2S
SMILES
C1C[C@H](O[C@H]1CO)N2C=CC(=NC2=S)N
InChI
InChI=1S/C9H13N3O2S/c10-7-3-4-12(9(15)11-7)8-2-1-6(5-13)14-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,15)/t6-,8+/m1/s1
InChIKey
AYYMJCVMDRSWJP-SVRRBLITSA-N
Compound name
4-amino-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07285 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08013 148.2
[M+Na]+ 250.06207 157.1
[M-H]- 226.06557 151.8
[M+NH4]+ 245.10667 163.9
[M+K]+ 266.03601 153.8
[M+H-H2O]+ 210.07011 141.3
[M+HCOO]- 272.07105 163.2
[M+CH3COO]- 286.08670 185.4
[M+Na-2H]- 248.04752 148.8
[M]+ 227.07230 147.2
[M]- 227.07340 147.2
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.