CID 121577

Brn 0903626

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 203.1
[M+Na]+ 446.18505 209.9
[M-H]- 422.18855 208.2
[M+NH4]+ 441.22965 211.2
[M+K]+ 462.15899 203.1
[M+H-H2O]+ 406.19309 190.7
[M+HCOO]- 468.19403 216.7
[M+CH3COO]- 482.20968 227.6
[M+Na-2H]- 444.17050 199.7
[M]+ 423.19528 202.7
[M]- 423.19638 202.7
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.