CID 3079721

Brn 4272548

Structural Information

Molecular Formula
C18H15F2NO5
SMILES
CCOC(=O)C1=C(N=C2COC(=O)C2=C1C3=CC=CC=C3OC(F)F)C
InChI
InChI=1S/C18H15F2NO5/c1-3-24-16(22)13-9(2)21-11-8-25-17(23)15(11)14(13)10-6-4-5-7-12(10)26-18(19)20/h4-7,18H,3,8H2,1-2H3
InChIKey
DURGIPSJEIRDCN-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.09183 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09911 180.4
[M+Na]+ 386.08105 189.7
[M-H]- 362.08455 185.5
[M+NH4]+ 381.12565 193.2
[M+K]+ 402.05499 187.4
[M+H-H2O]+ 346.08909 170.9
[M+HCOO]- 408.09003 197.4
[M+CH3COO]- 422.10568 215.9
[M+Na-2H]- 384.06650 179.7
[M]+ 363.09128 184.4
[M]- 363.09238 184.4
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

No patent data available for this compound.