CID 1979911

623934-74-7

Structural Information

Molecular Formula
C30H27N3O2S2
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)C)C5=CC=CC=C5)C
InChI
InChI=1S/C30H27N3O2S2/c1-4-35-26-15-14-23(16-21(26)3)28-24(19-33(31-28)25-8-6-5-7-9-25)17-27-29(34)32(30(36)37-27)18-22-12-10-20(2)11-13-22/h5-17,19H,4,18H2,1-3H3/b27-17-
InChIKey
AXVSEEYZSCWPFV-PKAZHMFMSA-N
Compound name
(5Z)-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-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 226.6
[M+Na]+ 548.14372 242.4
[M+NH4]+ 543.18832 233.5
[M+K]+ 564.11766 232.1
[M-H]- 524.14722 235.1
[M+Na-2H]- 546.12917 235.2
[M]+ 525.15395 232.4
[M]- 525.15505 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.