CID 9574262

Akos024399399

Structural Information

Molecular Formula
C20H17N3O3S
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H17N3O3S/c24-20(22-21-15-16-7-3-1-4-8-16)17-11-13-18(14-12-17)23-27(25,26)19-9-5-2-6-10-19/h1-15,23H,(H,22,24)/b21-15+
InChIKey
KROPNKJPLOUWTB-RCCKNPSSSA-N
Compound name
4-(benzenesulfonamido)-N-[(E)-benzylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.09906 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10634 186.9
[M+Na]+ 402.08828 192.0
[M-H]- 378.09178 197.2
[M+NH4]+ 397.13288 197.7
[M+K]+ 418.06222 186.3
[M+H-H2O]+ 362.09632 176.8
[M+HCOO]- 424.09726 208.5
[M+CH3COO]- 438.11291 221.4
[M+Na-2H]- 400.07373 193.2
[M]+ 379.09851 187.6
[M]- 379.09961 187.6
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.