CID 452680

3'-deoxy-3'-acetamido-thymidine

Structural Information

Molecular Formula
C12H17N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C
InChI
InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)/t8-,9+,10+/m0/s1
InChIKey
OCWNRLPPKHGFCE-IVZWLZJFSA-N
Compound name
N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

283.11682 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12410 162.4
[M+Na]+ 306.10604 170.6
[M-H]- 282.10954 165.4
[M+NH4]+ 301.15064 174.7
[M+K]+ 322.07998 168.2
[M+H-H2O]+ 266.11408 154.9
[M+HCOO]- 328.11502 180.2
[M+CH3COO]- 342.13067 197.4
[M+Na-2H]- 304.09149 162.7
[M]+ 283.11627 162.2
[M]- 283.11737 162.2
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.