CID 5005965

477320-36-8

Structural Information

Molecular Formula
C17H12F4N2O3
SMILES
CCOC(=O)C1=C(C2=C(O1)N=C(C=C2C(F)(F)F)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C17H12F4N2O3/c1-2-25-16(24)14-13(22)12-10(17(19,20)21)7-11(23-15(12)26-14)8-3-5-9(18)6-4-8/h3-7H,2,22H2,1H3
InChIKey
CMWYAVNFKFCBHX-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-(4-fluorophenyl)-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0784 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08568 181.5
[M+Na]+ 391.06762 193.3
[M-H]- 367.07112 184.6
[M+NH4]+ 386.11222 194.1
[M+K]+ 407.04156 188.9
[M+H-H2O]+ 351.07566 170.5
[M+HCOO]- 413.07660 198.8
[M+CH3COO]- 427.09225 217.5
[M+Na-2H]- 389.05307 183.2
[M]+ 368.07785 182.0
[M]- 368.07895 182.0
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.