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 178.7
[M+Na]+ 364.08569 188.7
[M-H]- 340.08919 182.5
[M+NH4]+ 359.13029 192.7
[M+K]+ 380.05963 182.5
[M+H-H2O]+ 324.09373 171.0
[M+HCOO]- 386.09467 186.1
[M+CH3COO]- 400.11032 188.9
[M+Na-2H]- 362.07114 179.7
[M]+ 341.09592 182.8
[M]- 341.09702 182.8
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.