CID 1986193

623934-79-2

Structural Information

Molecular Formula
C30H27N3O2S2
SMILES
CC1=CC(=C(C(=C1)C)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)C5=CC=CC=C5)C
InChI
InChI=1S/C30H27N3O2S2/c1-19-14-20(2)27(21(3)15-19)28-23(18-33(31-28)24-8-6-5-7-9-24)16-26-29(34)32(30(36)37-26)17-22-10-12-25(35-4)13-11-22/h5-16,18H,17H2,1-4H3/b26-16-
InChIKey
SAMILHNVNQFTPV-QQXSKIMKSA-N
Compound name
(5Z)-3-[(4-methoxyphenyl)methyl]-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

525.1545 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.16178 228.0
[M+Na]+ 548.14372 244.0
[M+NH4]+ 543.18832 234.8
[M+K]+ 564.11766 233.9
[M-H]- 524.14722 236.5
[M+Na-2H]- 546.12917 236.2
[M]+ 525.15395 233.8
[M]- 525.15505 233.8
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.