CID 9588900

2-imino-5-((phenylamino)methyl)-3-((phenyl(phenylazo)methylene)amino)-4-thiazolidinone

Structural Information

Molecular Formula
C23H20N6OS
SMILES
C1=CC=C(C=C1)/C(=N/N2C(=O)C(SC2=N)CNC3=CC=CC=C3)/N=NC4=CC=CC=C4
InChI
InChI=1S/C23H20N6OS/c24-23-29(22(30)20(31-23)16-25-18-12-6-2-7-13-18)28-21(17-10-4-1-5-11-17)27-26-19-14-8-3-9-15-19/h1-15,20,24-25H,16H2/b24-23?,27-26?,28-21-
InChIKey
VDMKKOYAEJZAJJ-VYCUDBKKSA-N
Compound name
N'-[5-(anilinomethyl)-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.14194 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14922 200.0
[M+Na]+ 451.13116 210.8
[M+NH4]+ 446.17576 207.0
[M+K]+ 467.10510 202.0
[M-H]- 427.13466 210.3
[M+Na-2H]- 449.11661 211.6
[M]+ 428.14139 204.5
[M]- 428.14249 204.5
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.