CID 3070026

Ios 2457

Structural Information

Molecular Formula
C18H16F3NO4
SMILES
CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=O)OC2)C
InChI
InChI=1S/C18H16F3NO4/c1-3-25-16(23)13-9(2)22-12-8-26-17(24)15(12)14(13)10-6-4-5-7-11(10)18(19,20)21/h4-7,14,22H,3,8H2,1-2H3
InChIKey
HPKGXTIXTOJDAO-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

367.10315 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11043 188.3
[M+Na]+ 390.09237 196.5
[M+NH4]+ 385.13697 191.6
[M+K]+ 406.06631 193.8
[M-H]- 366.09587 186.0
[M+Na-2H]- 388.07782 188.5
[M]+ 367.10260 188.3
[M]- 367.10370 188.3
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