CID 5367877

171261-31-7

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCCCN(C1CC2CCC(C1)N2C)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H30N2O/c1-3-4-14-23(20-15-18-11-12-19(16-20)22(18)2)21(24)13-10-17-8-6-5-7-9-17/h5-10,13,18-20H,3-4,11-12,14-16H2,1-2H3/b13-10+
InChIKey
DCWKRBUZLUVFGF-JLHYYAGUSA-N
Compound name
(E)-N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 183.3
[M+Na]+ 349.22502 192.6
[M+NH4]+ 344.26962 191.3
[M+K]+ 365.19896 186.4
[M-H]- 325.22852 186.3
[M+Na-2H]- 347.21047 186.0
[M]+ 326.23525 185.2
[M]- 326.23635 185.2
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.