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

3
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

literature stripe

Patent stripe

patents stripe