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 184.1
[M+Na]+ 349.22502 186.5
[M-H]- 325.22852 188.2
[M+NH4]+ 344.26962 200.1
[M+K]+ 365.19896 182.1
[M+H-H2O]+ 309.23306 175.3
[M+HCOO]- 371.23400 200.4
[M+CH3COO]- 385.24965 216.1
[M+Na-2H]- 347.21047 182.8
[M]+ 326.23525 182.2
[M]- 326.23635 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.