CID 136611996

881453-81-2

Structural Information

Molecular Formula
C20H15BrClN3O4S
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=C(C=CC(=C2)Br)O)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H15BrClN3O4S/c21-15-3-10-19(26)14(11-15)12-23-24-20(27)13-1-6-17(7-2-13)25-30(28,29)18-8-4-16(22)5-9-18/h1-12,25-26H,(H,24,27)/b23-12+
InChIKey
OSFWAQVFLONFQZ-FSJBWODESA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.9655 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.97278 195.5
[M+Na]+ 529.95472 205.2
[M-H]- 505.95822 207.2
[M+NH4]+ 524.99932 206.2
[M+K]+ 545.92866 190.3
[M+H-H2O]+ 489.96276 192.5
[M+HCOO]- 551.96370 209.0
[M+CH3COO]- 565.97935 235.2
[M+Na-2H]- 527.94017 201.0
[M]+ 506.96495 217.5
[M]- 506.96605 217.5
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.