CID 1984945

623933-20-0

Structural Information

Molecular Formula
C30H27N3O3S2
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C30H27N3O3S2/c1-20(2)36-26-15-11-22(12-16-26)28-23(19-33(31-28)24-7-5-4-6-8-24)17-27-29(34)32(30(37)38-27)18-21-9-13-25(35-3)14-10-21/h4-17,19-20H,18H2,1-3H3/b27-17-
InChIKey
UNYUORRXJQRANB-PKAZHMFMSA-N
Compound name
(5Z)-3-[(4-methoxyphenyl)methyl]-5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)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

541.1494 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.15668 227.2
[M+Na]+ 564.13862 241.7
[M+NH4]+ 559.18322 233.4
[M+K]+ 580.11256 232.7
[M-H]- 540.14212 234.9
[M+Na-2H]- 562.12407 235.6
[M]+ 541.14885 232.4
[M]- 541.14995 232.4
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.