CID 3872324

2-(chloromethyl)-1-ethyl-5-(piperidine-1-sulfonyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C15H20ClN3O2S
SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCl
InChI
InChI=1S/C15H20ClN3O2S/c1-2-19-14-7-6-12(10-13(14)17-15(19)11-16)22(20,21)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3
InChIKey
LFZOAQKFRFNKEO-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.09647 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10375 177.1
[M+Na]+ 364.08569 190.4
[M+NH4]+ 359.13029 184.6
[M+K]+ 380.05963 183.0
[M-H]- 340.08919 178.8
[M+Na-2H]- 362.07114 182.4
[M]+ 341.09592 180.2
[M]- 341.09702 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.