CID 142411678

Bersiporocin

Structural Information

Molecular Formula
C15H19Cl2N3O
SMILES
C1C[C@@H]([C@H](NC1)CCCN2C=NC3=C2C=CC(=C3Cl)Cl)O
InChI
InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1
InChIKey
VXCNMWNXDDMFSX-YPMHNXCESA-N
Compound name
(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)propyl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

327.0905 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.097776 174.2
[M+Na]+ 350.079718 183.3
[M-H]- 326.083224 174.0
[M+NH4]+ 345.124323 187.2
[M+K]+ 366.053658 174.8
[M+H-H2O]+ 310.087760 165.8
[M+HCOO]- 372.088701 179.1
[M+CH3COO]- 386.104351 182.9
[M+Na-2H]- 348.065166 174.6
[M]+ 327.08995142 174.1
[M]- 327.09104858 174.1
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

patents stripe