CID 6435650

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

Structural Information

Molecular Formula
C25H29NO2
SMILES
CCC1=CC=C(C=C1)/C(=C\C2=CC=CC=C2)/C(=O)OC3CC4CCC(C3)N4C
InChI
InChI=1S/C25H29NO2/c1-3-18-9-11-20(12-10-18)24(15-19-7-5-4-6-8-19)25(27)28-23-16-21-13-14-22(17-23)26(21)2/h4-12,15,21-23H,3,13-14,16-17H2,1-2H3/b24-15+
InChIKey
SVGONQICNIHRDR-BUVRLJJBSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(4-ethylphenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.21982 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.227096 195.3
[M+Na]+ 398.209038 198.3
[M-H]- 374.212544 201.5
[M+NH4]+ 393.253643 208.5
[M+K]+ 414.182978 192.3
[M+H-H2O]+ 358.217080 185.7
[M+HCOO]- 420.218021 209.1
[M+CH3COO]- 434.233671 203.1
[M+Na-2H]- 396.194486 192.4
[M]+ 375.21927142 192.7
[M]- 375.22036858 192.7
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.