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 198.6
[M+Na]+ 451.13116 202.9
[M-H]- 427.13466 213.2
[M+NH4]+ 446.17576 208.8
[M+K]+ 467.10510 196.6
[M+H-H2O]+ 411.13920 186.6
[M+HCOO]- 473.14014 223.5
[M+CH3COO]- 487.15579 207.8
[M+Na-2H]- 449.11661 201.9
[M]+ 428.14139 197.6
[M]- 428.14249 197.6
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.