CID 2777

Cl-82198

Structural Information

Molecular Formula
C17H22N2O3
SMILES
C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)
InChIKey
KUJQEQAVMNFFAO-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

11
Patents

302.16306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 171.7
[M+Na]+ 325.15228 183.0
[M+NH4]+ 320.19688 179.0
[M+K]+ 341.12622 178.5
[M-H]- 301.15578 177.6
[M+Na-2H]- 323.13773 176.4
[M]+ 302.16251 174.8
[M]- 302.16361 174.8
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

patents stripe