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

1
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

patents stripe