CID 11531184

5-[(4-methoxyphenyl)ethynyl]-2'-o-methyluridine

Structural Information

Molecular Formula
C19H20N2O7
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CC3=CC=C(C=C3)OC)CO)O
InChI
InChI=1S/C19H20N2O7/c1-26-13-7-4-11(5-8-13)3-6-12-9-21(19(25)20-17(12)24)18-16(27-2)15(23)14(10-22)28-18/h4-5,7-9,14-16,18,22-23H,10H2,1-2H3,(H,20,24,25)/t14-,15-,16-,18-/m1/s1
InChIKey
BHIBSNKAXVTRAD-YFHUEUNASA-N
Compound name
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-[2-(4-methoxyphenyl)ethynyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.12704 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13432 186.9
[M+Na]+ 411.11626 197.1
[M-H]- 387.11976 188.6
[M+NH4]+ 406.16086 192.8
[M+K]+ 427.09020 191.7
[M+H-H2O]+ 371.12430 171.8
[M+HCOO]- 433.12524 196.7
[M+CH3COO]- 447.14089 216.8
[M+Na-2H]- 409.10171 183.9
[M]+ 388.12649 183.4
[M]- 388.12759 183.4
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.