CID 11461661

Brn 4269961

Structural Information

Molecular Formula
C16H14N2O6
SMILES
CC1=C(C(C2=C(N1)COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C16H14N2O6/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/h3-6,13,17H,7H2,1-2H3
InChIKey
DEIUTHFTSPBIER-UHFFFAOYSA-N
Compound name
methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

330.08517 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09245 171.7
[M+Na]+ 353.07439 183.8
[M+NH4]+ 348.11899 177.3
[M+K]+ 369.04833 184.2
[M-H]- 329.07789 175.5
[M+Na-2H]- 351.05984 174.4
[M]+ 330.08462 174.1
[M]- 330.08572 174.1
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