CID 3039691

Brn 0860382

Structural Information

Molecular Formula
C22H24FN3O3
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCC(C(=O)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C22H24FN3O3/c23-16-7-5-15(6-8-16)21(28)20(27)11-14-25-12-9-17(10-13-25)26-19-4-2-1-3-18(19)24-22(26)29/h1-8,17,20,27H,9-14H2,(H,24,29)
InChIKey
XXVQGBMXGMVOKU-UHFFFAOYSA-N
Compound name
3-[1-[4-(4-fluorophenyl)-3-hydroxy-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

397.18018 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18746 193.9
[M+Na]+ 420.16940 199.5
[M-H]- 396.17290 196.4
[M+NH4]+ 415.21400 201.5
[M+K]+ 436.14334 192.2
[M+H-H2O]+ 380.17744 182.4
[M+HCOO]- 442.17838 205.1
[M+CH3COO]- 456.19403 200.7
[M+Na-2H]- 418.15485 191.8
[M]+ 397.17963 189.8
[M]- 397.18073 189.8
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

patents stripe