CID 9571575

Nsc683750

Structural Information

Molecular Formula
C18H16N4O4S
SMILES
CC1=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/C18H16N4O4S/c1-12-2-4-14(5-3-12)11-19-22-27(25,26)15-8-6-13(7-9-15)10-16-17(23)21-18(24)20-16/h2-11,22H,1H3,(H2,20,21,23,24)/b16-10-,19-11+
InChIKey
OHKPPPYXURFUCD-WJEOPBEZSA-N
Compound name
4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08923 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09651 189.4
[M+Na]+ 407.07845 196.5
[M-H]- 383.08195 195.6
[M+NH4]+ 402.12305 199.0
[M+K]+ 423.05239 189.0
[M+H-H2O]+ 367.08649 180.7
[M+HCOO]- 429.08743 204.9
[M+CH3COO]- 443.10308 215.4
[M+Na-2H]- 405.06390 190.3
[M]+ 384.08868 187.7
[M]- 384.08978 187.7
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.