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 217.2
[M+Na]+ 490.24648 220.5
[M-H]- 466.24998 224.1
[M+NH4]+ 485.29108 221.6
[M+K]+ 506.22042 211.7
[M+H-H2O]+ 450.25452 204.1
[M+HCOO]- 512.25546 228.2
[M+CH3COO]- 526.27111 222.4
[M+Na-2H]- 488.23193 216.6
[M]+ 467.25671 213.6
[M]- 467.25781 213.6
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.