CID 53404

N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)trifluoroacetamide hydrochloride

Structural Information

Molecular Formula
C19H23F3N2O5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)C(F)(F)F
InChI
InChI=1S/C19H23F3N2O5/c1-26-14-12-6-10-28-15(12)17(27-2)16(13(14)23-18(25)19(20,21)22)29-11-9-24-7-4-3-5-8-24/h6,10H,3-5,7-9,11H2,1-2H3,(H,23,25)
InChIKey
JVPWJIJWKWWYDR-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.1559 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16318 194.5
[M+Na]+ 439.14512 200.8
[M-H]- 415.14862 197.2
[M+NH4]+ 434.18972 204.6
[M+K]+ 455.11906 198.8
[M+H-H2O]+ 399.15316 183.6
[M+HCOO]- 461.15410 208.8
[M+CH3COO]- 475.16975 225.4
[M+Na-2H]- 437.13057 195.3
[M]+ 416.15535 195.9
[M]- 416.15645 195.9
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.