CID 129318409

2724689-73-8

Structural Information

Molecular Formula
C22H22FN3O3
SMILES
C1C[N+](CC=C1N2C3=CC=CC=C3NC2=O)(CCCC(=O)C4=CC=C(C=C4)F)[O-]
InChI
InChI=1S/C22H22FN3O3/c23-17-9-7-16(8-10-17)21(27)6-3-13-26(29)14-11-18(12-15-26)25-20-5-2-1-4-19(20)24-22(25)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
InChIKey
ARTHCXQTVPBNMX-UHFFFAOYSA-N
Compound name
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.16452 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.171796 192.3
[M+Na]+ 418.153738 199.2
[M-H]- 394.157244 195.3
[M+NH4]+ 413.198343 201.8
[M+K]+ 434.127678 186.3
[M+H-H2O]+ 378.161780 184.9
[M+HCOO]- 440.162721 206.2
[M+CH3COO]- 454.178371 207.6
[M+Na-2H]- 416.139186 195.6
[M]+ 395.16397142 187.6
[M]- 395.16506858 187.6
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.