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

2
Annotation Hits: 0
References: 51
Patents: 381.18524 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	382.192516	192.0
[M+Na]+	404.174458	198.6
[M-H]-	380.177964	195.5
[M+NH4]+	399.219063	201.0
[M+K]+	420.148398	190.6
[M+H-H2O]+	364.182500	179.8
[M+HCOO]-	426.183441	205.5
[M+CH3COO]-	440.199091	199.7
[M+Na-2H]-	402.159906	190.9
[M]+	381.18469142	188.7
[M]-	381.18578858	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe