CID 3005950

1-(beta-d-arabinofuranosyl)-5-methyl-2-thiocytosine

Structural Information

Molecular Formula
C10H15N3O4S
SMILES
CC1=CN(C(=S)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H15N3O4S/c1-4-2-13(10(18)12-8(4)11)9-7(16)6(15)5(3-14)17-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,18)/t5-,6-,7+,9-/m1/s1
InChIKey
OZHIJZYBTCTDQC-JAGXHNFQSA-N
Compound name
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.07834 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08562 160.3
[M+Na]+ 296.06756 169.7
[M-H]- 272.07106 161.9
[M+NH4]+ 291.11216 173.2
[M+K]+ 312.04150 165.5
[M+H-H2O]+ 256.07560 154.1
[M+HCOO]- 318.07654 172.0
[M+CH3COO]- 332.09219 192.5
[M+Na-2H]- 294.05301 157.8
[M]+ 273.07779 160.0
[M]- 273.07889 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.