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
2
Annotation Hits

0
References

29
Patents

327.0905 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09778 174.2
[M+Na]+ 350.07972 183.3
[M-H]- 326.08322 174.0
[M+NH4]+ 345.12432 187.2
[M+K]+ 366.05366 174.8
[M+H-H2O]+ 310.08776 165.8
[M+HCOO]- 372.08870 179.1
[M+CH3COO]- 386.10435 182.9
[M+Na-2H]- 348.06517 174.6
[M]+ 327.08995 174.1
[M]- 327.09105 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