CID 4254378

620541-12-0

Structural Information

Molecular Formula
C20H16F3NO3
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C20H16F3NO3/c1-2-26-14-9-7-13(8-10-14)24-19(25)18-12-11-17(27-18)15-5-3-4-6-16(15)20(21,22)23/h3-12H,2H2,1H3,(H,24,25)
InChIKey
OUSVUVIEQJAQRP-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.10822 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11550 185.5
[M+Na]+ 398.09744 193.1
[M-H]- 374.10094 192.5
[M+NH4]+ 393.14204 197.4
[M+K]+ 414.07138 189.2
[M+H-H2O]+ 358.10548 174.7
[M+HCOO]- 420.10642 205.0
[M+CH3COO]- 434.12207 217.5
[M+Na-2H]- 396.08289 187.1
[M]+ 375.10767 185.0
[M]- 375.10877 185.0
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.