CID 369591

Nsc641468

Structural Information

Molecular Formula
C14H11NO4
SMILES
COC1=CC=C(C=C1)C2C3=C(C=CNC3=O)C(=O)O2
InChI
InChI=1S/C14H11NO4/c1-18-9-4-2-8(3-5-9)12-11-10(14(17)19-12)6-7-15-13(11)16/h2-7,12H,1H3,(H,15,16)
InChIKey
TZWCLRASDAPAHM-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-3,5-dihydrofuro[3,4-c]pyridine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.06882 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.076096 153.1
[M+Na]+ 280.058038 163.7
[M-H]- 256.061544 159.8
[M+NH4]+ 275.102643 169.8
[M+K]+ 296.031978 160.5
[M+H-H2O]+ 240.066080 146.2
[M+HCOO]- 302.067021 174.1
[M+CH3COO]- 316.082671 166.4
[M+Na-2H]- 278.043486 158.1
[M]+ 257.06827142 155.6
[M]- 257.06936858 155.6
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.