CID 3068200

83130-97-6

Structural Information

Molecular Formula
C25H30N2O4
SMILES
CC(=O)C1=CC(=C(C(=C1)OC)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C25H30N2O4/c1-16(28)18-11-22(24(31-3)23(12-18)30-2)25(29)26-19-13-20-9-10-21(14-19)27(20)15-17-7-5-4-6-8-17/h4-8,11-12,19-21H,9-10,13-15H2,1-3H3,(H,26,29)
InChIKey
ALAXLCHGECLQPJ-UHFFFAOYSA-N
Compound name
5-acetyl-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.22055 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.227826 203.2
[M+Na]+ 445.209768 206.4
[M-H]- 421.213274 210.0
[M+NH4]+ 440.254373 214.3
[M+K]+ 461.183708 202.3
[M+H-H2O]+ 405.217810 193.6
[M+HCOO]- 467.218751 218.2
[M+CH3COO]- 481.234401 232.3
[M+Na-2H]- 443.195216 200.3
[M]+ 422.22000142 203.8
[M]- 422.22109858 203.8
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.