CID 1986807

623934-88-3

Structural Information

Molecular Formula
C25H25N3O2S2
SMILES
CC1=C(C=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C)C4=CC=CC=C4)OCC(C)C
InChI
InChI=1S/C25H25N3O2S2/c1-16(2)15-30-21-11-10-18(12-17(21)3)23-19(13-22-24(29)27(4)25(31)32-22)14-28(26-23)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3/b22-13-
InChIKey
OCFJQGLFDOQBRF-XKZIYDEJSA-N
Compound name
(5Z)-3-methyl-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

463.13882 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14610 211.6
[M+Na]+ 486.12804 224.8
[M+NH4]+ 481.17264 218.0
[M+K]+ 502.10198 216.5
[M-H]- 462.13154 217.2
[M+Na-2H]- 484.11349 217.4
[M]+ 463.13827 216.0
[M]- 463.13937 216.0
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.