CID 3086932

P-octanophenetidide, beta-piperidino-

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CCCCCCCC(=O)NC1=CC=C(C=C1)OCCN2CCCCC2
InChI
InChI=1S/C21H34N2O2/c1-2-3-4-5-7-10-21(24)22-19-11-13-20(14-12-19)25-18-17-23-15-8-6-9-16-23/h11-14H,2-10,15-18H2,1H3,(H,22,24)
InChIKey
JUKDCCPSPNSTNJ-UHFFFAOYSA-N
Compound name
N-[4-(2-piperidin-1-ylethoxy)phenyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.26202 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 189.0
[M+Na]+ 369.25124 189.3
[M-H]- 345.25474 191.6
[M+NH4]+ 364.29584 199.8
[M+K]+ 385.22518 185.2
[M+H-H2O]+ 329.25928 178.7
[M+HCOO]- 391.26022 205.9
[M+CH3COO]- 405.27587 216.1
[M+Na-2H]- 367.23669 188.9
[M]+ 346.26147 187.8
[M]- 346.26257 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.