CID 3049240

Bay-m 4797

Structural Information

Molecular Formula
C16H12N2O6
SMILES
CC1=C(C(=C2C(=N1)COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C16H12N2O6/c1-8-12(15(19)23-2)13(14-11(17-8)7-24-16(14)20)9-4-3-5-10(6-9)18(21)22/h3-6H,7H2,1-2H3
InChIKey
UNUPIHCTFMPTBT-UHFFFAOYSA-N
Compound name
methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.06955 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07683 170.4
[M+Na]+ 351.05877 184.0
[M+NH4]+ 346.10337 176.4
[M+K]+ 367.03271 183.9
[M-H]- 327.06227 175.0
[M+Na-2H]- 349.04422 174.6
[M]+ 328.06900 173.4
[M]- 328.07010 173.4
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

patents stripe