CID 49866449

2'-o-butyl-5-methyluridine

Structural Information

Molecular Formula
C14H23N2O9P
SMILES
CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O
InChI
InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1
InChIKey
WSAMAMLAATZRPR-PRULPYPASA-N
Compound name
[(2R,3R,4R,5R)-4-butoxy-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1141 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12138 185.6
[M+Na]+ 417.10332 191.6
[M-H]- 393.10682 184.5
[M+NH4]+ 412.14792 192.4
[M+K]+ 433.07726 190.8
[M+H-H2O]+ 377.11136 176.1
[M+HCOO]- 439.11230 203.4
[M+CH3COO]- 453.12795 211.9
[M+Na-2H]- 415.08877 183.1
[M]+ 394.11355 190.0
[M]- 394.11465 190.0
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.