CID 199480

Tropafen

Structural Information

Molecular Formula
C25H29NO4
SMILES
CC(=O)OC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)OC3CC4CCC(C3)N4C
InChI
InChI=1S/C25H29NO4/c1-17(27)29-22-12-8-18(9-13-22)14-24(19-6-4-3-5-7-19)25(28)30-23-15-20-10-11-21(16-23)26(20)2/h3-9,12-13,20-21,23-24H,10-11,14-16H2,1-2H3
InChIKey
WYYRXLABEPJODI-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-acetyloxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

82
Patents

407.20966 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 200.4
[M+Na]+ 430.19888 202.6
[M-H]- 406.20238 206.7
[M+NH4]+ 425.24348 212.0
[M+K]+ 446.17282 198.8
[M+H-H2O]+ 390.20692 190.8
[M+HCOO]- 452.20786 213.5
[M+CH3COO]- 466.22351 224.8
[M+Na-2H]- 428.18433 196.9
[M]+ 407.20911 200.1
[M]- 407.21021 200.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.