CID 2393609

730950-11-5

Structural Information

Molecular Formula
C12H16ClN3O2S
SMILES
CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CCl
InChI
InChI=1S/C12H16ClN3O2S/c1-3-16(4-2)19(17,18)9-5-6-10-11(7-9)15-12(8-13)14-10/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKey
HWHDMTNQQRTCTL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-N,N-diethyl-3H-benzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

301.0652 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07248 166.4
[M+Na]+ 324.05442 177.1
[M-H]- 300.05792 169.3
[M+NH4]+ 319.09902 183.4
[M+K]+ 340.02836 171.9
[M+H-H2O]+ 284.06246 160.4
[M+HCOO]- 346.06340 178.8
[M+CH3COO]- 360.07905 201.1
[M+Na-2H]- 322.03987 169.9
[M]+ 301.06465 173.9
[M]- 301.06575 173.9
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.