CID 5336343

171261-25-9

Structural Information

Molecular Formula
C21H28N2O
SMILES
CCCCN(C1=CC2CCC(C1)N2C)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H28N2O/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/h5-10,13,15,18-19H,3-4,11-12,14,16H2,1-2H3/b13-10+
InChIKey
JIKAVSKPMLXRKC-JLHYYAGUSA-N
Compound name
(E)-N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 182.0
[M+Na]+ 347.20937 192.3
[M+NH4]+ 342.25397 190.1
[M+K]+ 363.18331 185.9
[M-H]- 323.21287 185.2
[M+Na-2H]- 345.19482 185.7
[M]+ 324.21960 184.2
[M]- 324.22070 184.2
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.