CID 9571275

Nsc637083

Structural Information

Molecular Formula
C16H12N4O6S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C/C=N/NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H12N4O6S/c21-15-13-6-1-2-7-14(13)16(22)19(15)9-8-17-18-27(25,26)12-5-3-4-11(10-12)20(23)24/h1-8,10,18H,9H2/b17-8+
InChIKey
VJXKWLDYCVSMFJ-CAOOACKPSA-N
Compound name
N-[(E)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.04776 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05504 183.9
[M+Na]+ 411.03698 190.2
[M-H]- 387.04048 191.9
[M+NH4]+ 406.08158 195.7
[M+K]+ 427.01092 181.9
[M+H-H2O]+ 371.04502 180.1
[M+HCOO]- 433.04596 204.4
[M+CH3COO]- 447.06161 214.4
[M+Na-2H]- 409.02243 191.8
[M]+ 388.04721 185.8
[M]- 388.04831 185.8
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.