CID 21039567

Ns00015950

Structural Information

Molecular Formula
C20H19F3N2O2
SMILES
C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(C=C3)OCC4
InChI
InChI=1S/C20H19F3N2O2/c21-20(22,23)15-4-5-17(25-8-1-2-9-25)16(12-15)24-19(26)14-3-6-18-13(11-14)7-10-27-18/h3-6,11-12H,1-2,7-10H2,(H,24,26)
InChIKey
HDAGRVKXWBLVQW-UHFFFAOYSA-N
Compound name
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.13986 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14714 185.3
[M+Na]+ 399.12908 191.1
[M-H]- 375.13258 191.2
[M+NH4]+ 394.17368 198.4
[M+K]+ 415.10302 186.7
[M+H-H2O]+ 359.13712 175.1
[M+HCOO]- 421.13806 199.6
[M+CH3COO]- 435.15371 194.3
[M+Na-2H]- 397.11453 184.1
[M]+ 376.13931 179.5
[M]- 376.14041 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.