CID 3608219

N-(5-hydroxymethyl-8-methyl-2-oxo-2h-pyrano(2,3-c)pyridin-3-yl)-acetamide

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CC1=NC=C(C2=C1OC(=O)C(=C2)NC(=O)C)CO
InChI
InChI=1S/C12H12N2O4/c1-6-11-9(8(5-15)4-13-6)3-10(12(17)18-11)14-7(2)16/h3-4,15H,5H2,1-2H3,(H,14,16)
InChIKey
WPXQLCGNZYOCOI-UHFFFAOYSA-N
Compound name
N-[5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07971 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 153.0
[M+Na]+ 271.06893 166.0
[M+NH4]+ 266.11353 159.3
[M+K]+ 287.04287 161.4
[M-H]- 247.07243 155.2
[M+Na-2H]- 269.05438 157.3
[M]+ 248.07916 155.3
[M]- 248.08026 155.3
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.