CID 9555824

Nsc637079

Structural Information

Molecular Formula
C18H17N3O6S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N/N=C/CN2C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C18H17N3O6S/c1-26-15-8-7-12(11-16(15)27-2)28(24,25)20-19-9-10-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-9,11,20H,10H2,1-2H3/b19-9+
InChIKey
SZDNUIFVKGCTLM-DJKKODMXSA-N
Compound name
N-[(E)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-3,4-dimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.0838 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.09108 190.8
[M+Na]+ 426.07302 199.4
[M-H]- 402.07652 199.0
[M+NH4]+ 421.11762 203.6
[M+K]+ 442.04696 195.7
[M+H-H2O]+ 386.08106 182.8
[M+HCOO]- 448.08200 210.3
[M+CH3COO]- 462.09765 225.5
[M+Na-2H]- 424.05847 194.3
[M]+ 403.08325 199.0
[M]- 403.08435 199.0
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.