CID 98813

59708-47-3

Structural Information

Molecular Formula
C30H33N3O2
SMILES
CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3NC2=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H33N3O2/c1-2-28(34)30(23-11-5-3-6-12-23,24-13-7-4-8-14-24)19-22-32-20-17-25(18-21-32)33-27-16-10-9-15-26(27)31-29(33)35/h3-16,25H,2,17-22H2,1H3,(H,31,35)
InChIKey
JEADZIOGPIBIHN-UHFFFAOYSA-N
Compound name
3-[1-(4-oxo-3,3-diphenylhexyl)piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.25726 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.26454 217.1
[M+Na]+ 490.24648 231.8
[M+NH4]+ 485.29108 223.3
[M+K]+ 506.22042 224.5
[M-H]- 466.24998 223.2
[M+Na-2H]- 488.23193 226.4
[M]+ 467.25671 221.0
[M]- 467.25781 221.0
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.