CID 145999209

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

Structural Information

Molecular Formula
C14H17NO7
SMILES
CO[C@@H]1C(C(OC1C2C=C(C(=O)NC2=O)OCC#C)CO)O
InChI
InChI=1S/C14H17NO7/c1-3-4-21-8-5-7(13(18)15-14(8)19)11-12(20-2)10(17)9(6-16)22-11/h1,5,7,9-12,16-17H,4,6H2,2H3,(H,15,18,19)/t7?,9?,10?,11?,12-/m1/s1
InChIKey
JPRWJOHERCQDQK-NJXHTTNOSA-N
Compound name
3-[(3R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1005 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10778 163.1
[M+Na]+ 334.08972 172.0
[M-H]- 310.09322 163.4
[M+NH4]+ 329.13432 173.5
[M+K]+ 350.06366 168.6
[M+H-H2O]+ 294.09776 150.9
[M+HCOO]- 356.09870 172.5
[M+CH3COO]- 370.11435 204.8
[M+Na-2H]- 332.07517 160.9
[M]+ 311.09995 157.9
[M]- 311.10105 157.9
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.