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]+ 382.19252 192.8
[M+Na]+ 404.17446 200.8
[M-H]- 380.17796 198.1
[M+NH4]+ 399.21906 202.8
[M+K]+ 420.14840 193.6
[M+H-H2O]+ 364.18250 180.5
[M+HCOO]- 426.18344 207.7
[M+CH3COO]- 440.19909 201.4
[M+Na-2H]- 402.15991 191.3
[M]+ 381.18469 191.7
[M]- 381.18579 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.