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 231.1
[M+Na]+ 564.13862 239.7
[M-H]- 540.14212 243.7
[M+NH4]+ 559.18322 236.9
[M+K]+ 580.11256 231.0
[M+H-H2O]+ 524.14666 222.1
[M+HCOO]- 586.14760 239.7
[M+CH3COO]- 600.16325 238.1
[M+Na-2H]- 562.12407 221.5
[M]+ 541.14885 236.1
[M]- 541.14995 236.1
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.