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]+ 424.203106 203.1
[M+Na]+ 446.185048 209.9
[M-H]- 422.188554 208.2
[M+NH4]+ 441.229653 211.2
[M+K]+ 462.158988 203.1
[M+H-H2O]+ 406.193090 190.7
[M+HCOO]- 468.194031 216.7
[M+CH3COO]- 482.209681 227.6
[M+Na-2H]- 444.170496 199.7
[M]+ 423.19528142 202.7
[M]- 423.19637858 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.