CID 459461

5-benzimidazolesulfonanilide

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CN3
InChI
InChI=1S/C13H11N3O2S/c17-19(18,16-10-4-2-1-3-5-10)11-6-7-12-13(8-11)15-9-14-12/h1-9,16H,(H,14,15)
InChIKey
RXVMQZNUMUBBRI-UHFFFAOYSA-N
Compound name
N-phenyl-3H-benzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.0572 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06448 158.0
[M+Na]+ 296.04642 168.5
[M-H]- 272.04992 162.9
[M+NH4]+ 291.09102 174.0
[M+K]+ 312.02036 162.5
[M+H-H2O]+ 256.05446 150.9
[M+HCOO]- 318.05540 176.1
[M+CH3COO]- 332.07105 170.2
[M+Na-2H]- 294.03187 165.6
[M]+ 273.05665 160.1
[M]- 273.05775 160.1
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

patents stripe