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]+ 380.106336 186.9
[M+Na]+ 402.088278 192.0
[M-H]- 378.091784 197.2
[M+NH4]+ 397.132883 197.7
[M+K]+ 418.062218 186.3
[M+H-H2O]+ 362.096320 176.8
[M+HCOO]- 424.097261 208.5
[M+CH3COO]- 438.112911 221.4
[M+Na-2H]- 400.073726 193.2
[M]+ 379.09851142 187.6
[M]- 379.09960858 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.