CID 14069470

3',5'-anhydrothymidine

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)CO3
InChI
InChI=1S/C10H12N2O4/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(16-8)4-15-6/h3,6-8H,2,4H2,1H3,(H,11,13,14)/t6-,7+,8+/m0/s1
InChIKey
OAWLMYIJZBBZTP-XLPZGREQSA-N
Compound name
1-[(1R,3R,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.07971 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 138.2
[M+Na]+ 247.06893 146.9
[M-H]- 223.07243 143.7
[M+NH4]+ 242.11353 147.3
[M+K]+ 263.04287 149.3
[M+H-H2O]+ 207.07697 126.9
[M+HCOO]- 269.07791 155.0
[M+CH3COO]- 283.09356 188.5
[M+Na-2H]- 245.05438 143.2
[M]+ 224.07916 148.6
[M]- 224.08026 148.6
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

patents stripe