CID 121585

2-benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-3-methyl-, hydrochloride

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FN3O2/c1-24-19-4-2-3-5-20(19)26(22(24)28)18-10-13-25(14-11-18)15-12-21(27)16-6-8-17(23)9-7-16/h2-9,18H,10-15H2,1H3
InChIKey
JVXNNHPZCKEEST-UHFFFAOYSA-N
Compound name
1-[1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18524 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.192516 192.8
[M+Na]+ 404.174458 200.8
[M-H]- 380.177964 198.1
[M+NH4]+ 399.219063 202.8
[M+K]+ 420.148398 193.6
[M+H-H2O]+ 364.182500 180.5
[M+HCOO]- 426.183441 207.7
[M+CH3COO]- 440.199091 201.4
[M+Na-2H]- 402.159906 191.3
[M]+ 381.18469142 191.7
[M]- 381.18578858 191.7
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.