CID 71744

Declenperone

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCN3C4=CC=CC=C4NC3=O
InChI
InChI=1S/C22H24FN3O2/c23-18-8-6-16(7-9-18)21(27)17-10-14-25(15-11-17)12-3-13-26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-9,17H,3,10-15H2,(H,24,28)
InChIKey
VNLMLHDKNUIWNM-UHFFFAOYSA-N
Compound name
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

381.18524 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19252 192.0
[M+Na]+ 404.17446 198.6
[M-H]- 380.17796 195.5
[M+NH4]+ 399.21906 201.0
[M+K]+ 420.14840 190.6
[M+H-H2O]+ 364.18250 179.8
[M+HCOO]- 426.18344 205.5
[M+CH3COO]- 440.19909 199.7
[M+Na-2H]- 402.15991 190.9
[M]+ 381.18469 188.7
[M]- 381.18579 188.7
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.