CID 379312

Nsc663863

Structural Information

Molecular Formula
C21H22F2N2O
SMILES
C1CN2CCC1C(C2)NC(=O)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H22F2N2O/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)21(26)24-19-13-25-11-9-14(19)10-12-25/h1-8,14,19-20H,9-13H2,(H,24,26)
InChIKey
STUMSZIDQWXWCF-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-bis(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.17 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17728 179.9
[M+Na]+ 379.15922 181.7
[M-H]- 355.16272 177.8
[M+NH4]+ 374.20382 194.5
[M+K]+ 395.13316 176.1
[M+H-H2O]+ 339.16726 168.8
[M+HCOO]- 401.16820 186.5
[M+CH3COO]- 415.18385 185.9
[M+Na-2H]- 377.14467 185.4
[M]+ 356.16945 175.7
[M]- 356.17055 175.7
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.