CID 146001138

3-[(3r)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-5-prop-2-ynoxy-1-prop-2-ynyl-3h-pyridine-2,6-dione

Structural Information

Molecular Formula
C17H19NO7
SMILES
CO[C@@H]1C(C(OC1C2C=C(C(=O)N(C2=O)CC#C)OCC#C)CO)O
InChI
InChI=1S/C17H19NO7/c1-4-6-18-16(21)10(8-11(17(18)22)24-7-5-2)14-15(23-3)13(20)12(9-19)25-14/h1-2,8,10,12-15,19-20H,6-7,9H2,3H3/t10?,12?,13?,14?,15-/m1/s1
InChIKey
OYWWFXWLMRAVSA-QGJDSUORSA-N
Compound name
3-[(3R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-prop-2-ynoxy-1-prop-2-ynyl-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.11615 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12343 169.9
[M+Na]+ 372.10537 179.7
[M-H]- 348.10887 171.2
[M+NH4]+ 367.14997 177.1
[M+K]+ 388.07931 175.3
[M+H-H2O]+ 332.11341 155.3
[M+HCOO]- 394.11435 174.2
[M+CH3COO]- 408.13000 226.2
[M+Na-2H]- 370.09082 166.2
[M]+ 349.11560 163.2
[M]- 349.11670 163.2
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.