CID 5909385

623940-36-3

Structural Information

Molecular Formula
C22H19N3OS2
SMILES
CC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C22H19N3OS2/c1-15(2)25-21(26)19(28-22(25)27)13-17-14-24(18-11-7-4-8-12-18)23-20(17)16-9-5-3-6-10-16/h3-15H,1-2H3/b19-13-
InChIKey
WKCSXSAKDGFIIE-UYRXBGFRSA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.09695 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10423 196.8
[M+Na]+ 428.08617 207.2
[M-H]- 404.08967 206.9
[M+NH4]+ 423.13077 208.7
[M+K]+ 444.06011 198.8
[M+H-H2O]+ 388.09421 189.2
[M+HCOO]- 450.09515 206.5
[M+CH3COO]- 464.11080 206.4
[M+Na-2H]- 426.07162 189.0
[M]+ 405.09640 198.7
[M]- 405.09750 198.7
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.