CID 3052846

69353-34-0

Structural Information

Molecular Formula
C23H24FN3O2
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4CC4C(=O)C5=CC=CC=C5F
InChI
InChI=1S/C23H24FN3O2/c24-19-6-2-1-5-17(19)22(28)18-13-15(18)14-26-11-9-16(10-12-26)27-21-8-4-3-7-20(21)25-23(27)29/h1-8,15-16,18H,9-14H2,(H,25,29)
InChIKey
GOBZPUMZSQDHGB-UHFFFAOYSA-N
Compound name
3-[1-[[2-(2-fluorobenzoyl)cyclopropyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.18524 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19252 196.1
[M+Na]+ 416.17446 204.9
[M-H]- 392.17796 203.0
[M+NH4]+ 411.21906 200.3
[M+K]+ 432.14840 195.7
[M+H-H2O]+ 376.18250 184.8
[M+HCOO]- 438.18344 210.0
[M+CH3COO]- 452.19909 203.6
[M+Na-2H]- 414.15991 193.8
[M]+ 393.18469 194.5
[M]- 393.18579 194.6
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.