CID 477854

3'-deoxy-4'-c-methylthymidine

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@](O2)(C)CO
InChI
InChI=1S/C11H16N2O4/c1-7-5-13(10(16)12-9(7)15)8-3-4-11(2,6-14)17-8/h5,8,14H,3-4,6H2,1-2H3,(H,12,15,16)/t8-,11+/m1/s1
InChIKey
YEWUZKGIJTWQRI-KCJUWKMLSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

240.11101 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 149.7
[M+Na]+ 263.10023 159.6
[M-H]- 239.10373 152.7
[M+NH4]+ 258.14483 166.2
[M+K]+ 279.07417 157.1
[M+H-H2O]+ 223.10827 143.4
[M+HCOO]- 285.10921 167.6
[M+CH3COO]- 299.12486 185.3
[M+Na-2H]- 261.08568 153.2
[M]+ 240.11046 149.9
[M]- 240.11156 149.9
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