CID 9579424

4-amino-n-[(e)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]-3-(p-tolyl)-2-thioxo-thiazole-5-carboxamide

Structural Information

Molecular Formula
C28H24N6OS2
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=C(N(C(=S)S3)C4=CC=C(C=C4)C)N)C5=CC=CC=C5
InChI
InChI=1S/C28H24N6OS2/c1-18-8-12-20(13-9-18)24-21(17-33(32-24)22-6-4-3-5-7-22)16-30-31-27(35)25-26(29)34(28(36)37-25)23-14-10-19(2)11-15-23/h3-17H,29H2,1-2H3,(H,31,35)/b30-16+
InChIKey
KAGXIGGYNNGYFJ-OKCVXOCRSA-N
Compound name
4-amino-3-(4-methylphenyl)-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

524.1453 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.15258 225.4
[M+Na]+ 547.13452 236.4
[M-H]- 523.13802 240.2
[M+NH4]+ 542.17912 232.0
[M+K]+ 563.10846 225.9
[M+H-H2O]+ 507.14256 215.9
[M+HCOO]- 569.14350 241.8
[M+CH3COO]- 583.15915 233.9
[M+Na-2H]- 545.11997 221.9
[M]+ 524.14475 230.2
[M]- 524.14585 230.2
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.