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]+ 423.22783 203.4
[M+Na]+ 445.20977 213.8
[M+NH4]+ 440.25437 209.7
[M+K]+ 461.18371 208.9
[M-H]- 421.21327 207.3
[M+Na-2H]- 443.19522 206.7
[M]+ 422.22000 205.7
[M]- 422.22110 205.7
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.