CID 6018380

307953-09-9

Structural Information

Molecular Formula
C26H27N3OS2
SMILES
CC1=CC(=C(C(=C1)C)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4)C
InChI
InChI=1S/C26H27N3OS2/c1-16(2)14-28-25(30)22(32-26(28)31)13-20-15-29(21-9-7-6-8-10-21)27-24(20)23-18(4)11-17(3)12-19(23)5/h6-13,15-16H,14H2,1-5H3/b22-13-
InChIKey
CANLKSNAGNMGCZ-XKZIYDEJSA-N
Compound name
(5Z)-3-(2-methylpropyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)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

461.15955 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.16683 213.6
[M+Na]+ 484.14877 227.4
[M+NH4]+ 479.19337 220.4
[M+K]+ 500.12271 218.5
[M-H]- 460.15227 219.7
[M+Na-2H]- 482.13422 219.2
[M]+ 461.15900 218.3
[M]- 461.16010 218.3
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.