CID 9555863

Nsc643512

Structural Information

Molecular Formula
C16H12BrN3O4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C/C=N/NS(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H12BrN3O4S/c17-11-5-7-12(8-6-11)25(23,24)19-18-9-10-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-9,19H,10H2/b18-9+
InChIKey
WGPNCVHWWZDCBF-GIJQJNRQSA-N
Compound name
4-bromo-N-[(E)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.97318 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.98046 178.3
[M+Na]+ 443.96240 190.5
[M-H]- 419.96590 188.7
[M+NH4]+ 439.00700 194.5
[M+K]+ 459.93634 177.6
[M+H-H2O]+ 403.97044 176.8
[M+HCOO]- 465.97138 196.1
[M+CH3COO]- 479.98703 221.3
[M+Na-2H]- 441.94785 184.3
[M]+ 420.97263 200.9
[M]- 420.97373 200.9
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.