CID 497001

1h-benzimidazole, 1-[(1-methylethyl)sulfonyl]-2-[2-(2-pyridinyl)ethyl]-

Structural Information

Molecular Formula
C17H19N3O2S
SMILES
CC(C)S(=O)(=O)N1C2=CC=CC=C2N=C1CCC3=CC=CC=N3
InChI
InChI=1S/C17H19N3O2S/c1-13(2)23(21,22)20-16-9-4-3-8-15(16)19-17(20)11-10-14-7-5-6-12-18-14/h3-9,12-13H,10-11H2,1-2H3
InChIKey
NSHXEVYIDQKKDD-UHFFFAOYSA-N
Compound name
1-propan-2-ylsulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.1198 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12708 177.8
[M+Na]+ 352.10902 188.3
[M-H]- 328.11252 182.5
[M+NH4]+ 347.15362 191.3
[M+K]+ 368.08296 182.7
[M+H-H2O]+ 312.11706 169.5
[M+HCOO]- 374.11800 192.5
[M+CH3COO]- 388.13365 206.0
[M+Na-2H]- 350.09447 180.9
[M]+ 329.11925 183.8
[M]- 329.12035 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.