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]+ 327.243076 184.1
[M+Na]+ 349.225018 186.5
[M-H]- 325.228524 188.2
[M+NH4]+ 344.269623 200.1
[M+K]+ 365.198958 182.1
[M+H-H2O]+ 309.233060 175.3
[M+HCOO]- 371.234001 200.4
[M+CH3COO]- 385.249651 216.1
[M+Na-2H]- 347.210466 182.8
[M]+ 326.23525142 182.2
[M]- 326.23634858 182.2
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.