CID 145999227

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

Structural Information

Molecular Formula
C15H19NO7
SMILES
COC1C(OC(C1O)C2C=C(C(=O)N(C2=O)CC#C)CO)CO
InChI
InChI=1S/C15H19NO7/c1-3-4-16-14(20)8(6-17)5-9(15(16)21)12-11(19)13(22-2)10(7-18)23-12/h1,5,9-13,17-19H,4,6-7H2,2H3
InChIKey
QTHMBZINFYEAEH-UHFFFAOYSA-N
Compound name
3-[3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-5-(hydroxymethyl)-1-prop-2-ynyl-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.11615 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12343 166.7
[M+Na]+ 348.10537 175.9
[M-H]- 324.10887 167.2
[M+NH4]+ 343.14997 176.9
[M+K]+ 364.07931 172.5
[M+H-H2O]+ 308.11341 154.7
[M+HCOO]- 370.11435 175.8
[M+CH3COO]- 384.13000 208.7
[M+Na-2H]- 346.09082 163.5
[M]+ 325.11560 162.2
[M]- 325.11670 162.2
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.