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]+ 258.07610 153.1
[M+Na]+ 280.05804 163.7
[M-H]- 256.06154 159.8
[M+NH4]+ 275.10264 169.8
[M+K]+ 296.03198 160.5
[M+H-H2O]+ 240.06608 146.2
[M+HCOO]- 302.06702 174.1
[M+CH3COO]- 316.08267 166.4
[M+Na-2H]- 278.04349 158.1
[M]+ 257.06827 155.6
[M]- 257.06937 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.