CID 212700

3,5-pyrazolidinedione, 4,4'-(dithiobis(ethyleneiminomethylidyne))bis(1,2-diphenyl-

Structural Information

Molecular Formula
C36H32N6O4S2
SMILES
C1=CC=C(C=C1)N2C(=C(C(=O)N2C3=CC=CC=C3)C=NCCSSCCN=CC4=C(N(N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)O)O
InChI
InChI=1S/C36H32N6O4S2/c43-33-31(34(44)40(28-15-7-2-8-16-28)39(33)27-13-5-1-6-14-27)25-37-21-23-47-48-24-22-38-26-32-35(45)41(29-17-9-3-10-18-29)42(36(32)46)30-19-11-4-12-20-30/h1-20,25-26,43,45H,21-24H2
InChIKey
NIVOCLZXLRVJNN-UHFFFAOYSA-N
Compound name
5-hydroxy-4-[2-[2-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)methylideneamino]ethyldisulfanyl]ethyliminomethyl]-1,2-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.1926 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.19988 256.1
[M+Na]+ 699.18182 272.1
[M+NH4]+ 694.22642 259.9
[M+K]+ 715.15576 262.1
[M-H]- 675.18532 266.3
[M+Na-2H]- 697.16727 267.9
[M]+ 676.19205 262.1
[M]- 676.19315 262.1
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.