CID 112756617

N-[3-(4-fluorobenzoyl)pyridin-2-yl]-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C17H17FN2O2
SMILES
CC(C)(C)C(=O)NC1=C(C=CC=N1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H17FN2O2/c1-17(2,3)16(22)20-15-13(5-4-10-19-15)14(21)11-6-8-12(18)9-7-11/h4-10H,1-3H3,(H,19,20,22)
InChIKey
XKCLQEMZRJSPEN-UHFFFAOYSA-N
Compound name
N-[3-(4-fluorobenzoyl)pyridin-2-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1274 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13468 169.3
[M+Na]+ 323.11662 176.2
[M-H]- 299.12012 173.6
[M+NH4]+ 318.16122 182.7
[M+K]+ 339.09056 172.4
[M+H-H2O]+ 283.12466 160.2
[M+HCOO]- 345.12560 188.6
[M+CH3COO]- 359.14125 206.7
[M+Na-2H]- 321.10207 172.8
[M]+ 300.12685 168.5
[M]- 300.12795 168.5
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.