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 177.1
[M+Na]+ 374.08105 185.4
[M-H]- 350.08455 180.6
[M+NH4]+ 369.12565 189.6
[M+K]+ 390.05499 182.7
[M+H-H2O]+ 334.08909 168.2
[M+HCOO]- 396.09003 191.5
[M+CH3COO]- 410.10568 211.0
[M+Na-2H]- 372.06650 175.6
[M]+ 351.09128 177.6
[M]- 351.09238 177.6
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

patents stripe