CID 5193409

160436-51-1

Structural Information

Molecular Formula
C17H12ClF3N2O3
SMILES
CCOC(=O)C1=C(C2=C(O1)N=C(C=C2C(F)(F)F)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C17H12ClF3N2O3/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
QWMYCSUUXLAMDQ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.04886 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05614 184.2
[M+Na]+ 407.03808 195.2
[M+NH4]+ 402.08268 188.6
[M+K]+ 423.01202 191.5
[M-H]- 383.04158 183.8
[M+Na-2H]- 405.02353 187.6
[M]+ 384.04831 185.7
[M]- 384.04941 185.7
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.