CID 459462

Akos027636230

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=CN3
InChI
InChI=1S/C14H13N3O2S/c1-10-2-5-12(6-3-10)20(18,19)17-11-4-7-13-14(8-11)16-9-15-13/h2-9,17H,1H3,(H,15,16)
InChIKey
KDBOQLUOKGHGMU-UHFFFAOYSA-N
Compound name
N-(3H-benzimidazol-5-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07285 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 163.1
[M+Na]+ 310.06207 173.9
[M-H]- 286.06557 168.1
[M+NH4]+ 305.10667 178.7
[M+K]+ 326.03601 167.7
[M+H-H2O]+ 270.07011 156.0
[M+HCOO]- 332.07105 180.7
[M+CH3COO]- 346.08670 175.1
[M+Na-2H]- 308.04752 169.4
[M]+ 287.07230 165.9
[M]- 287.07340 165.9
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.