CID 3059381

Exo-5-fluoro-2-methoxy-n-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)benzamide

Structural Information

Molecular Formula
C22H25FN2O2
SMILES
COC1=C(C=C(C=C1)F)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C22H25FN2O2/c1-27-21-10-7-16(23)11-20(21)22(26)24-17-12-18-8-9-19(13-17)25(18)14-15-5-3-2-4-6-15/h2-7,10-11,17-19H,8-9,12-14H2,1H3,(H,24,26)
InChIKey
RDSUDBIYCMDIGP-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19728 188.2
[M+Na]+ 391.17922 192.7
[M-H]- 367.18272 193.8
[M+NH4]+ 386.22382 201.8
[M+K]+ 407.15316 187.0
[M+H-H2O]+ 351.18726 177.8
[M+HCOO]- 413.18820 203.9
[M+CH3COO]- 427.20385 196.7
[M+Na-2H]- 389.16467 187.6
[M]+ 368.18945 184.9
[M]- 368.19055 184.9
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.