CID 9555858

Nsc643506

Structural Information

Molecular Formula
C17H14N4O6S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14N4O6S/c1-11(10-20-16(22)14-7-2-3-8-15(14)17(20)23)18-19-28(26,27)13-6-4-5-12(9-13)21(24)25/h2-9,19H,10H2,1H3/b18-11+
InChIKey
IAJWUVNNMXKRCZ-WOJGMQOQSA-N
Compound name
N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.06342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.07070 187.9
[M+Na]+ 425.05264 193.3
[M-H]- 401.05614 195.6
[M+NH4]+ 420.09724 199.0
[M+K]+ 441.02658 185.4
[M+H-H2O]+ 385.06068 184.1
[M+HCOO]- 447.06162 206.9
[M+CH3COO]- 461.07727 218.1
[M+Na-2H]- 423.03809 194.4
[M]+ 402.06287 189.4
[M]- 402.06397 189.4
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.