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)-2-pyridinyl]-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]+ 301.134676 169.3
[M+Na]+ 323.116618 176.2
[M-H]- 299.120124 173.6
[M+NH4]+ 318.161223 182.7
[M+K]+ 339.090558 172.4
[M+H-H2O]+ 283.124660 160.2
[M+HCOO]- 345.125601 188.6
[M+CH3COO]- 359.141251 206.7
[M+Na-2H]- 321.102066 172.8
[M]+ 300.12685142 168.5
[M]- 300.12794858 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.