CID 453833

4'-methoxythymidine

Structural Information

Molecular Formula
C11H16N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(CO)OC)O
InChI
InChI=1S/C11H16N2O6/c1-6-4-13(10(17)12-9(6)16)8-3-7(15)11(5-14,18-2)19-8/h4,7-8,14-15H,3,5H2,1-2H3,(H,12,16,17)/t7-,8+,11+/m0/s1
InChIKey
MKAQFZOQMCAVDN-VAOFZXAKSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

272.10083 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 155.1
[M+Na]+ 295.09005 165.0
[M-H]- 271.09355 157.1
[M+NH4]+ 290.13465 169.6
[M+K]+ 311.06399 163.0
[M+H-H2O]+ 255.09809 149.1
[M+HCOO]- 317.09903 171.8
[M+CH3COO]- 331.11468 189.1
[M+Na-2H]- 293.07550 157.9
[M]+ 272.10028 156.9
[M]- 272.10138 156.9
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