CID 6435800

1h-azepineethanol, hexahydro-alpha-phenyl-, cinnamate

Structural Information

Molecular Formula
C23H27NO2
SMILES
C1CCCN(CC1)CC(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C23H27NO2/c25-23(16-15-20-11-5-3-6-12-20)26-22(21-13-7-4-8-14-21)19-24-17-9-1-2-10-18-24/h3-8,11-16,22H,1-2,9-10,17-19H2/b16-15+
InChIKey
REJKAUFMILLIIB-FOCLMDBBSA-N
Compound name
[2-(azepan-1-yl)-1-phenylethyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 188.8
[M+Na]+ 372.19342 199.0
[M+NH4]+ 367.23802 195.2
[M+K]+ 388.16736 191.9
[M-H]- 348.19692 193.3
[M+Na-2H]- 370.17887 196.4
[M]+ 349.20365 191.5
[M]- 349.20475 191.5
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.