CID 3005956

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

Structural Information

Molecular Formula
C11H17N3O5S
SMILES
CC(C1=CN(C(=S)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C11H17N3O5S/c1-4(16)5-2-14(11(20)13-9(5)12)10-8(18)7(17)6(3-15)19-10/h2,4,6-8,10,15-18H,3H2,1H3,(H2,12,13,20)/t4?,6-,7-,8+,10-/m1/s1
InChIKey
SYWFUMGYJWEKGC-CQKQUIOESA-N
Compound name
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-hydroxyethyl)pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.0889 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09618 167.5
[M+Na]+ 326.07812 175.3
[M-H]- 302.08162 167.6
[M+NH4]+ 321.12272 178.2
[M+K]+ 342.05206 171.4
[M+H-H2O]+ 286.08616 161.3
[M+HCOO]- 348.08710 176.6
[M+CH3COO]- 362.10275 196.9
[M+Na-2H]- 324.06357 163.5
[M]+ 303.08835 166.6
[M]- 303.08945 166.6
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.