CID 322341

59541-36-5

Structural Information

Molecular Formula
C22H18N4O4S
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)C=NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C22H18N4O4S/c23-31(29,30)19-13-11-16(12-14-19)24-15-20-21(27)25(17-7-3-1-4-8-17)26(22(20)28)18-9-5-2-6-10-18/h1-15,20H,(H2,23,29,30)
InChIKey
MVSBFPCYOUZOTD-UHFFFAOYSA-N
Compound name
4-[(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.1049 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.11218 203.4
[M+Na]+ 457.09412 211.4
[M-H]- 433.09762 215.1
[M+NH4]+ 452.13872 211.7
[M+K]+ 473.06806 204.7
[M+H-H2O]+ 417.10216 192.9
[M+HCOO]- 479.10310 220.9
[M+CH3COO]- 493.11875 229.9
[M+Na-2H]- 455.07957 203.8
[M]+ 434.10435 204.2
[M]- 434.10545 204.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.