CID 15595710

Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-4-(2-(difluoromethoxy)phenyl)-2-methyl-5-oxo-, methyl ester

Structural Information

Molecular Formula
C17H15F2NO5
SMILES
CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3OC(F)F)C(=O)OC
InChI
InChI=1S/C17H15F2NO5/c1-8-12(15(21)23-2)13(14-10(20-8)7-24-16(14)22)9-5-3-4-6-11(9)25-17(18)19/h3-6,13,17,20H,7H2,1-2H3
InChIKey
UCYAQFHJRBNFRN-UHFFFAOYSA-N
Compound name
methyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-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

15
Patents

351.09183 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09911 182.2
[M+Na]+ 374.08105 191.5
[M+NH4]+ 369.12565 186.3
[M+K]+ 390.05499 189.2
[M-H]- 350.08455 181.5
[M+Na-2H]- 372.06650 182.9
[M]+ 351.09128 182.8
[M]- 351.09238 182.8
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