CID 4961788

2-(chloromethyl)-n,n-dimethyl-1-propyl-1h-benzimidazole-5-sulfonamide

Structural Information

Molecular Formula
C13H18ClN3O2S
SMILES
CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCl
InChI
InChI=1S/C13H18ClN3O2S/c1-4-7-17-12-6-5-10(20(18,19)16(2)3)8-11(12)15-13(17)9-14/h5-6,8H,4,7,9H2,1-3H3
InChIKey
PRLOTQIWRPSMBV-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08808 171.6
[M+Na]+ 338.07002 184.1
[M+NH4]+ 333.11462 178.8
[M+K]+ 354.04396 177.6
[M-H]- 314.07352 172.4
[M+Na-2H]- 336.05547 176.1
[M]+ 315.08025 174.3
[M]- 315.08135 174.3
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.