CID 9571573

Nsc683748

Structural Information

Molecular Formula
C18H16N4O5S
SMILES
COC1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)N3
InChI
InChI=1S/C18H16N4O5S/c1-27-14-6-2-13(3-7-14)11-19-22-28(25,26)15-8-4-12(5-9-15)10-16-17(23)21-18(24)20-16/h2-11,22H,1H3,(H2,20,21,23,24)/b16-10-,19-11+
InChIKey
DAUAXAKXSKTQFO-WJEOPBEZSA-N
Compound name
4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.08414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09142 191.7
[M+Na]+ 423.07336 198.4
[M-H]- 399.07686 197.8
[M+NH4]+ 418.11796 200.4
[M+K]+ 439.04730 191.6
[M+H-H2O]+ 383.08140 182.8
[M+HCOO]- 445.08234 207.3
[M+CH3COO]- 459.09799 217.7
[M+Na-2H]- 421.05881 193.0
[M]+ 400.08359 191.3
[M]- 400.08469 191.3
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.