CID 182859

Befiperide

Structural Information

Molecular Formula
C25H31N3O2
SMILES
CC(C)C1=CC=C(C=C1)C(=O)N(C)CCN2CCN(CC2)C3=CC=CC4=C3OC=C4
InChI
InChI=1S/C25H31N3O2/c1-19(2)20-7-9-22(10-8-20)25(29)26(3)12-13-27-14-16-28(17-15-27)23-6-4-5-21-11-18-30-24(21)23/h4-11,18-19H,12-17H2,1-3H3
InChIKey
XZHMFCUWVDUYBV-UHFFFAOYSA-N
Compound name
N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-N-methyl-4-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

405.24164 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 200.4
[M+Na]+ 428.23086 213.4
[M+NH4]+ 423.27546 207.5
[M+K]+ 444.20480 207.9
[M-H]- 404.23436 207.6
[M+Na-2H]- 426.21631 207.2
[M]+ 405.24109 204.3
[M]- 405.24219 204.3
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