CID 9588901

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

Structural Information

Molecular Formula
C23H19ClN6OS
SMILES
C1=CC=C(C=C1)/C(=N/N2C(=O)C(SC2=N)CNC3=CC=C(C=C3)Cl)/N=NC4=CC=CC=C4
InChI
InChI=1S/C23H19ClN6OS/c24-17-11-13-18(14-12-17)26-15-20-22(31)30(23(25)32-20)29-21(16-7-3-1-4-8-16)28-27-19-9-5-2-6-10-19/h1-14,20,25-26H,15H2/b25-23?,28-27?,29-21-
InChIKey
SWJZHTLLSOATIO-GUSKUQPQSA-N
Compound name
N'-[5-[(4-chloroanilino)methyl]-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

462.10297 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.11025 210.2
[M+Na]+ 485.09219 216.0
[M-H]- 461.09569 224.9
[M+NH4]+ 480.13679 220.2
[M+K]+ 501.06613 208.5
[M+H-H2O]+ 445.10023 198.9
[M+HCOO]- 507.10117 230.4
[M+CH3COO]- 521.11682 219.1
[M+Na-2H]- 483.07764 211.9
[M]+ 462.10242 212.1
[M]- 462.10352 212.1
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.