CID 121577

Nsc665689

Structural Information

Molecular Formula
C24H26FN3O3
SMILES
CC(=O)N1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H26FN3O3/c1-17(29)27-21-5-2-3-6-22(21)28(24(27)31)20-12-15-26(16-13-20)14-4-7-23(30)18-8-10-19(25)11-9-18/h2-3,5-6,8-11,20H,4,7,12-16H2,1H3
InChIKey
HACVSVYOLJDEJK-UHFFFAOYSA-N
Compound name
1-acetyl-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20311 203.6
[M+Na]+ 446.18505 216.4
[M+NH4]+ 441.22965 208.4
[M+K]+ 462.15899 211.0
[M-H]- 422.18855 205.7
[M+Na-2H]- 444.17050 208.6
[M]+ 423.19528 205.7
[M]- 423.19638 205.7
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.