CID 6292276

624724-34-1

Structural Information

Molecular Formula
C23H21N3OS2
SMILES
CCC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C23H21N3OS2/c1-3-16(2)26-22(27)20(29-23(26)28)14-18-15-25(19-12-8-5-9-13-19)24-21(18)17-10-6-4-7-11-17/h4-16H,3H2,1-2H3/b20-14-
InChIKey
JNBPRNTYKIJSAO-ZHZULCJRSA-N
Compound name
(5Z)-3-butan-2-yl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1126 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11988 197.9
[M+Na]+ 442.10182 211.4
[M+NH4]+ 437.14642 205.3
[M+K]+ 458.07576 202.8
[M-H]- 418.10532 204.0
[M+Na-2H]- 440.08727 205.1
[M]+ 419.11205 202.5
[M]- 419.11315 202.5
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.