CID 482201

1,4-bis[4-(1h-benzimidazol-2-yl)-1-piperidyl]butane-1,4-dione

Structural Information

Molecular Formula
C28H32N6O2
SMILES
C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)CCC(=O)N4CCC(CC4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C28H32N6O2/c35-25(33-15-11-19(12-16-33)27-29-21-5-1-2-6-22(21)30-27)9-10-26(36)34-17-13-20(14-18-34)28-31-23-7-3-4-8-24(23)32-28/h1-8,19-20H,9-18H2,(H,29,30)(H,31,32)
InChIKey
SLQODIOKZYFLAH-UHFFFAOYSA-N
Compound name
1,4-bis[4-(1H-benzimidazol-2-yl)piperidin-1-yl]butane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.25867 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.26595 214.7
[M+Na]+ 507.24789 217.7
[M-H]- 483.25139 218.3
[M+NH4]+ 502.29249 216.6
[M+K]+ 523.22183 208.4
[M+H-H2O]+ 467.25593 201.1
[M+HCOO]- 529.25687 219.6
[M+CH3COO]- 543.27252 218.1
[M+Na-2H]- 505.23334 209.5
[M]+ 484.25812 207.8
[M]- 484.25922 207.8
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.