CID 1985927

623934-73-6

Structural Information

Molecular Formula
C30H27N3O3S2
SMILES
CCOC1=C(C=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)C
InChI
InChI=1S/C30H27N3O3S2/c1-4-36-26-15-12-22(16-20(26)2)28-23(19-33(31-28)24-8-6-5-7-9-24)17-27-29(34)32(30(37)38-27)18-21-10-13-25(35-3)14-11-21/h5-17,19H,4,18H2,1-3H3/b27-17-
InChIKey
RKBCATLZIOMHKJ-PKAZHMFMSA-N
Compound name
(5Z)-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-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 229.9
[M+Na]+ 564.13862 245.1
[M+NH4]+ 559.18322 236.1
[M+K]+ 580.11256 235.4
[M-H]- 540.14212 237.9
[M+Na-2H]- 562.12407 238.1
[M]+ 541.14885 235.3
[M]- 541.14995 235.3
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.