CID 5941157

623935-32-0

Structural Information

Molecular Formula
C26H27N3O2S2
SMILES
CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C(C)CC)C4=CC=CC=C4
InChI
InChI=1S/C26H27N3O2S2/c1-4-15-31-22-13-11-19(12-14-22)24-20(17-28(27-24)21-9-7-6-8-10-21)16-23-25(30)29(18(3)5-2)26(32)33-23/h6-14,16-18H,4-5,15H2,1-3H3/b23-16-
InChIKey
YWINDTSINQDVBZ-KQWNVCNZSA-N
Compound name
(5Z)-3-butan-2-yl-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-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

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16176 214.4
[M+Na]+ 500.14370 227.0
[M+NH4]+ 495.18830 220.7
[M+K]+ 516.11764 218.4
[M-H]- 476.14720 219.9
[M+Na-2H]- 498.12915 220.2
[M]+ 477.15393 218.6
[M]- 477.15503 218.6
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.