CID 3005954

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

Structural Information

Molecular Formula
C11H15N3O4S
SMILES
C=CC1=CN(C(=S)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H15N3O4S/c1-2-5-3-14(11(19)13-9(5)12)10-8(17)7(16)6(4-15)18-10/h2-3,6-8,10,15-17H,1,4H2,(H2,12,13,19)/t6-,7-,8+,10-/m1/s1
InChIKey
BLBKJRLMXDPGIP-BDNRQGISSA-N
Compound name
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethenylpyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.07834 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08562 164.0
[M+Na]+ 308.06756 173.3
[M-H]- 284.07106 165.4
[M+NH4]+ 303.11216 176.3
[M+K]+ 324.04150 168.2
[M+H-H2O]+ 268.07560 157.6
[M+HCOO]- 330.07654 175.6
[M+CH3COO]- 344.09219 194.8
[M+Na-2H]- 306.05301 161.0
[M]+ 285.07779 163.3
[M]- 285.07889 163.3
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.