CID 389589

Nsc685892

Structural Information

Molecular Formula
C22H18N5O2S
SMILES
C[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C22H18N5O2S/c1-26-15-27(20-14-8-7-13-19(20)26)22-21(23-17-11-5-6-12-18(17)24-22)25-30(28,29)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,25)/q+1
InChIKey
RWCPJZHHCVTKMA-UHFFFAOYSA-N
Compound name
N-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11813 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12541 199.8
[M+Na]+ 439.10735 210.7
[M-H]- 415.11085 207.7
[M+NH4]+ 434.15195 208.1
[M+K]+ 455.08129 197.1
[M+H-H2O]+ 399.11539 191.7
[M+HCOO]- 461.11633 213.8
[M+CH3COO]- 475.13198 208.8
[M+Na-2H]- 437.09280 209.2
[M]+ 416.11758 203.0
[M]- 416.11868 203.0
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.