CID 6434992

Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride

Structural Information

Molecular Formula
C25H27NO4
SMILES
CC(=O)OC1=CC=C(C=C1)/C(=C\C2=CC=CC=C2)/C(=O)OC3CC4CCC(C3)N4C
InChI
InChI=1S/C25H27NO4/c1-17(27)29-22-12-8-19(9-13-22)24(14-18-6-4-3-5-7-18)25(28)30-23-15-20-10-11-21(16-23)26(20)2/h3-9,12-14,20-21,23H,10-11,15-16H2,1-2H3/b24-14+
InChIKey
DUYXXGDGTOQMEH-ZVHZXABRSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(4-acetyloxyphenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.194 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.201276 199.6
[M+Na]+ 428.183218 202.2
[M-H]- 404.186724 205.9
[M+NH4]+ 423.227823 211.2
[M+K]+ 444.157158 197.8
[M+H-H2O]+ 388.191260 190.1
[M+HCOO]- 450.192201 212.9
[M+CH3COO]- 464.207851 223.5
[M+Na-2H]- 426.168666 196.0
[M]+ 405.19345142 198.5
[M]- 405.19454858 198.5
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.