CID 1976070

624724-23-8

Structural Information

Molecular Formula
C26H27N3O2S2
SMILES
CCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OCC(C)C)C)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C26H27N3O2S2/c1-5-28-25(30)23(33-26(28)32)14-20-15-29(21-9-7-6-8-10-21)27-24(20)19-11-12-22(18(4)13-19)31-16-17(2)3/h6-15,17H,5,16H2,1-4H3/b23-14-
InChIKey
STRGOOPTCAUBHV-UCQKPKSFSA-N
Compound name
(5Z)-3-ethyl-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.15448 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16176 215.6
[M+Na]+ 500.14370 228.6
[M+NH4]+ 495.18830 221.9
[M+K]+ 516.11764 220.1
[M-H]- 476.14720 221.2
[M+Na-2H]- 498.12915 221.1
[M]+ 477.15393 219.9
[M]- 477.15503 219.9
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.