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 183.3
[M+Na]+ 387.09272 194.6
[M-H]- 363.09622 187.6
[M+NH4]+ 382.13732 196.2
[M+K]+ 403.06666 190.5
[M+H-H2O]+ 347.10076 173.1
[M+HCOO]- 409.10170 201.3
[M+CH3COO]- 423.11735 217.8
[M+Na-2H]- 385.07817 185.1
[M]+ 364.10295 185.3
[M]- 364.10405 185.3
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

No patent data available for this compound.