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 186.1
[M+Na]+ 370.17776 189.1
[M-H]- 346.18126 192.3
[M+NH4]+ 365.22236 200.1
[M+K]+ 386.15170 183.5
[M+H-H2O]+ 330.18580 176.6
[M+HCOO]- 392.18674 200.6
[M+CH3COO]- 406.20239 194.4
[M+Na-2H]- 368.16321 184.9
[M]+ 347.18799 182.4
[M]- 347.18909 182.4
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.