CID 6435656

Alpha-phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate

Structural Information

Molecular Formula
C23H25NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4
InChI
InChI=1S/C23H25NO2/c1-24-19-12-13-20(24)16-21(15-19)26-23(25)22(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,14,19-21H,12-13,15-16H2,1H3/b22-14+
InChIKey
YNQARCJWLFBYSA-HYARGMPZSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2,3-diphenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 185.9
[M+Na]+ 370.17776 198.1
[M+NH4]+ 365.22236 194.4
[M+K]+ 386.15170 191.4
[M-H]- 346.18126 190.5
[M+Na-2H]- 368.16321 191.5
[M]+ 347.18799 188.8
[M]- 347.18909 188.8
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.