CID 3055325

72278-97-8

Structural Information

Molecular Formula
C24H32N2O2
SMILES
C1CN(CCC1C(=O)N)CCCCOC2=CC=CC=C2CCC3=CC=CC=C3
InChI
InChI=1S/C24H32N2O2/c25-24(27)22-14-17-26(18-15-22)16-6-7-19-28-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-11,22H,6-7,12-19H2,(H2,25,27)
InChIKey
ROWPAXNVXWTPHF-UHFFFAOYSA-N
Compound name
1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

380.24637 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 196.2
[M+Na]+ 403.23559 197.2
[M-H]- 379.23909 201.6
[M+NH4]+ 398.28019 204.8
[M+K]+ 419.20953 191.4
[M+H-H2O]+ 363.24363 184.7
[M+HCOO]- 425.24457 212.6
[M+CH3COO]- 439.26022 222.1
[M+Na-2H]- 401.22104 195.2
[M]+ 380.24582 192.6
[M]- 380.24692 192.6
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