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]+ 398.187456 193.9
[M+Na]+ 420.169398 199.5
[M-H]- 396.172904 196.4
[M+NH4]+ 415.214003 201.5
[M+K]+ 436.143338 192.2
[M+H-H2O]+ 380.177440 182.4
[M+HCOO]- 442.178381 205.1
[M+CH3COO]- 456.194031 200.7
[M+Na-2H]- 418.154846 191.8
[M]+ 397.17963142 189.8
[M]- 397.18072858 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