CID 5220594

160436-49-7

Structural Information

Molecular Formula
C18H15F3N2O3
SMILES
CCOC(=O)C1=C(C2=C(O1)N=C(C=C2C(F)(F)F)C3=CC=C(C=C3)C)N
InChI
InChI=1S/C18H15F3N2O3/c1-3-25-17(24)15-14(22)13-11(18(19,20)21)8-12(23-16(13)26-15)10-6-4-9(2)5-7-10/h4-8H,3,22H2,1-2H3
InChIKey
BNZMNBUCAUVXFX-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1035 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11078 184.9
[M+Na]+ 387.09272 195.1
[M+NH4]+ 382.13732 188.9
[M+K]+ 403.06666 191.8
[M-H]- 363.09622 184.4
[M+Na-2H]- 385.07817 187.9
[M]+ 364.10295 186.0
[M]- 364.10405 186.0
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.