CID 65811

Inicarone

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC(C)C1=C(C2=CC=CC=C2O1)C(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H15NO2/c1-11(2)17-15(13-5-3-4-6-14(13)20-17)16(19)12-7-9-18-10-8-12/h3-11H,1-2H3
InChIKey
FMDGBNOKORNXFS-UHFFFAOYSA-N
Compound name
(2-propan-2-yl-1-benzofuran-3-yl)-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

265.1103 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 160.3
[M+Na]+ 288.09952 169.5
[M-H]- 264.10302 168.0
[M+NH4]+ 283.14412 176.9
[M+K]+ 304.07346 166.6
[M+H-H2O]+ 248.10756 152.6
[M+HCOO]- 310.10850 182.0
[M+CH3COO]- 324.12415 173.3
[M+Na-2H]- 286.08497 164.9
[M]+ 265.10975 164.2
[M]- 265.11085 164.2
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.