CID 3059382

76352-10-8

Structural Information

Molecular Formula
C22H26N2O3
SMILES
COC1=C(C=C(C=C1)O)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C22H26N2O3/c1-27-21-10-9-19(25)13-20(21)22(26)23-16-11-17-7-8-18(12-16)24(17)14-15-5-3-2-4-6-15/h2-6,9-10,13,16-18,25H,7-8,11-12,14H2,1H3,(H,23,26)
InChIKey
NJCUKKMAUOPIPZ-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-hydroxy-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 187.3
[M+Na]+ 389.18356 191.0
[M-H]- 365.18706 193.0
[M+NH4]+ 384.22816 200.2
[M+K]+ 405.15750 185.9
[M+H-H2O]+ 349.19160 178.2
[M+HCOO]- 411.19254 202.7
[M+CH3COO]- 425.20819 195.6
[M+Na-2H]- 387.16901 187.2
[M]+ 366.19379 184.7
[M]- 366.19489 184.7
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.