CID 3065828

Tropapride

Structural Information

Molecular Formula
C23H28N2O3
SMILES
COC1=CC=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)
InChIKey
PCIWCYUKRZFCMF-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

90
Patents

380.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 192.1
[M+Na]+ 403.199218 195.8
[M-H]- 379.202724 198.9
[M+NH4]+ 398.243823 205.1
[M+K]+ 419.173158 191.2
[M+H-H2O]+ 363.207260 182.4
[M+HCOO]- 425.208201 208.7
[M+CH3COO]- 439.223851 222.7
[M+Na-2H]- 401.184666 191.8
[M]+ 380.20945142 191.6
[M]- 380.21054858 191.6
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

patents stripe