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 182.9
[M+Na]+ 347.20937 186.4
[M-H]- 323.21287 187.5
[M+NH4]+ 342.25397 199.2
[M+K]+ 363.18331 181.8
[M+H-H2O]+ 307.21741 174.1
[M+HCOO]- 369.21835 200.7
[M+CH3COO]- 383.23400 215.7
[M+Na-2H]- 345.19482 182.6
[M]+ 324.21960 182.5
[M]- 324.22070 182.5
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.