CID 3068168

3-beta-(2,3-dimethoxybenzoyl)amino 8-meta-fluorobenzyl nor-tropane

Structural Information

Molecular Formula
C23H27FN2O3
SMILES
COC1=CC=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC(=CC=C4)F
InChI
InChI=1S/C23H27FN2O3/c1-28-21-8-4-7-20(22(21)29-2)23(27)25-17-12-18-9-10-19(13-17)26(18)14-15-5-3-6-16(24)11-15/h3-8,11,17-19H,9-10,12-14H2,1-2H3,(H,25,27)
InChIKey
JSGBTWUONURNAR-UHFFFAOYSA-N
Compound name
N-[8-[(3-fluorophenyl)methyl]-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

398.20056 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20784 196.0
[M+Na]+ 421.18978 200.7
[M-H]- 397.19328 201.8
[M+NH4]+ 416.23438 208.5
[M+K]+ 437.16372 195.6
[M+H-H2O]+ 381.19782 185.6
[M+HCOO]- 443.19876 211.4
[M+CH3COO]- 457.21441 226.6
[M+Na-2H]- 419.17523 194.3
[M]+ 398.20001 194.9
[M]- 398.20111 194.9
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.