CID 3005947

2'-deoxy-5-methyl-2-thiocytidine

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
CC1=CN(C(=S)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H15N3O3S/c1-5-3-13(10(17)12-9(5)11)8-2-6(15)7(4-14)16-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,17)/t6-,7+,8+/m0/s1
InChIKey
YHFDOGIIGSBFAC-XLPZGREQSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

257.0834 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 156.7
[M+Na]+ 280.07262 166.2
[M-H]- 256.07612 159.5
[M+NH4]+ 275.11722 170.9
[M+K]+ 296.04656 162.2
[M+H-H2O]+ 240.08066 150.2
[M+HCOO]- 302.08160 169.9
[M+CH3COO]- 316.09725 190.9
[M+Na-2H]- 278.05807 155.2
[M]+ 257.08285 156.5
[M]- 257.08395 156.5
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.