CID 9555854

Nsc643502

Structural Information

Molecular Formula
C17H15N3O4S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=CC=C1)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15N3O4S/c1-12(18-19-25(23,24)13-7-3-2-4-8-13)11-20-16(21)14-9-5-6-10-15(14)17(20)22/h2-10,19H,11H2,1H3/b18-12+
InChIKey
HDCJCMAKVUELMJ-LDADJPATSA-N
Compound name
N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07834 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08562 181.0
[M+Na]+ 380.06756 188.9
[M-H]- 356.07106 188.9
[M+NH4]+ 375.11216 195.5
[M+K]+ 396.04150 184.5
[M+H-H2O]+ 340.07560 173.2
[M+HCOO]- 402.07654 199.7
[M+CH3COO]- 416.09219 216.2
[M+Na-2H]- 378.05301 184.5
[M]+ 357.07779 184.8
[M]- 357.07889 184.8
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.