CID 6435011

Alpha-(o-methoxyphenyl)cinnamic acid 3-tropanyl ester hydrochloride

Structural Information

Molecular Formula
C24H27NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4OC
InChI
InChI=1S/C24H27NO3/c1-25-18-12-13-19(25)16-20(15-18)28-24(26)22(14-17-8-4-3-5-9-17)21-10-6-7-11-23(21)27-2/h3-11,14,18-20H,12-13,15-16H2,1-2H3/b22-14+
InChIKey
NTIWZCTYTMUTLX-HYARGMPZSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(2-methoxyphenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1991 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 192.9
[M+Na]+ 400.18832 204.7
[M+NH4]+ 395.23292 200.6
[M+K]+ 416.16226 198.6
[M-H]- 376.19182 197.1
[M+Na-2H]- 398.17377 197.7
[M]+ 377.19855 195.6
[M]- 377.19965 195.6
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.