CID 482200

4-benzimidazol-2-ylpiperidyl 4-[(4-benzimidazol-2-ylpiperidyl)carbonyl]phenyl ketone

Structural Information

Molecular Formula
C32H32N6O2
SMILES
C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)C(=O)N5CCC(CC5)C6=NC7=CC=CC=C7N6
InChI
InChI=1S/C32H32N6O2/c39-31(37-17-13-21(14-18-37)29-33-25-5-1-2-6-26(25)34-29)23-9-11-24(12-10-23)32(40)38-19-15-22(16-20-38)30-35-27-7-3-4-8-28(27)36-30/h1-12,21-22H,13-20H2,(H,33,34)(H,35,36)
InChIKey
CVMMBNJOQAJFTJ-UHFFFAOYSA-N
Compound name
[4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.25867 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.26595 223.2
[M+Na]+ 555.24789 226.0
[M-H]- 531.25139 229.9
[M+NH4]+ 550.29249 222.5
[M+K]+ 571.22183 215.8
[M+H-H2O]+ 515.25593 208.5
[M+HCOO]- 577.25687 227.5
[M+CH3COO]- 591.27252 225.9
[M+Na-2H]- 553.23334 217.4
[M]+ 532.25812 215.2
[M]- 532.25922 215.2
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.