CID 1978674

623933-07-3

Structural Information

Molecular Formula
C25H25N3O2S2
SMILES
CCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC)C4=CC=CC=C4)C
InChI
InChI=1S/C25H25N3O2S2/c1-4-13-30-20-11-12-21(17(3)14-20)23-18(15-22-24(29)27(5-2)25(31)32-22)16-28(26-23)19-9-7-6-8-10-19/h6-12,14-16H,4-5,13H2,1-3H3/b22-15-
InChIKey
JROISNCQZGHLPY-JCMHNJIXSA-N
Compound name
(5Z)-3-ethyl-5-[[3-(2-methyl-4-propoxyphenyl)-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

463.13882 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14610 212.6
[M+Na]+ 486.12804 226.2
[M+NH4]+ 481.17264 219.1
[M+K]+ 502.10198 217.0
[M-H]- 462.13154 218.4
[M+Na-2H]- 484.11349 218.5
[M]+ 463.13827 217.1
[M]- 463.13937 217.1
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.