CID 15595711

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

Structural Information

Molecular Formula
C19H19F2NO5
SMILES
CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3OC(F)F)C(=O)OC(C)C
InChI
InChI=1S/C19H19F2NO5/c1-9(2)26-18(24)14-10(3)22-12-8-25-17(23)16(12)15(14)11-6-4-5-7-13(11)27-19(20)21/h4-7,9,15,19,22H,8H2,1-3H3
InChIKey
OOEYTQDPKYSBEG-UHFFFAOYSA-N
Compound name
propan-2-yl 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

0
Patents

379.12314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13042 186.2
[M+Na]+ 402.11236 193.3
[M-H]- 378.11586 189.4
[M+NH4]+ 397.15696 197.5
[M+K]+ 418.08630 190.8
[M+H-H2O]+ 362.12040 177.2
[M+HCOO]- 424.12134 198.9
[M+CH3COO]- 438.13699 217.9
[M+Na-2H]- 400.09781 182.5
[M]+ 379.12259 186.8
[M]- 379.12369 186.8
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