CID 5156296

160436-50-0

Structural Information

Molecular Formula
C18H15F3N2O4
SMILES
CCOC(=O)C1=C(C2=C(O1)N=C(C=C2C(F)(F)F)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C18H15F3N2O4/c1-3-26-17(24)15-14(22)13-11(18(19,20)21)8-12(23-16(13)27-15)9-4-6-10(25-2)7-5-9/h4-8H,3,22H2,1-2H3
InChIKey
JGOADFHNFGETPH-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0984 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10568 186.0
[M+Na]+ 403.08762 197.1
[M-H]- 379.09112 190.3
[M+NH4]+ 398.13222 198.1
[M+K]+ 419.06156 193.7
[M+H-H2O]+ 363.09566 175.7
[M+HCOO]- 425.09660 204.2
[M+CH3COO]- 439.11225 220.0
[M+Na-2H]- 401.07307 188.0
[M]+ 380.09785 189.4
[M]- 380.09895 189.4
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.