CID 9571571

Nsc683746

Structural Information

Molecular Formula
C17H14N4O4S
SMILES
C1=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/C17H14N4O4S/c22-16-15(19-17(23)20-16)10-12-6-8-14(9-7-12)26(24,25)21-18-11-13-4-2-1-3-5-13/h1-11,21H,(H2,19,20,22,23)/b15-10-,18-11+
InChIKey
UEVVJSUCCBFDOD-ODXRKRKHSA-N
Compound name
N-[(E)-benzylideneamino]-4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.07358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08086 184.6
[M+Na]+ 393.06280 191.4
[M-H]- 369.06630 190.6
[M+NH4]+ 388.10740 194.4
[M+K]+ 409.03674 184.0
[M+H-H2O]+ 353.07084 175.9
[M+HCOO]- 415.07178 200.5
[M+CH3COO]- 429.08743 211.1
[M+Na-2H]- 391.04825 186.7
[M]+ 370.07303 182.1
[M]- 370.07413 182.1
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.