CID 5797648

623936-18-5

Structural Information

Molecular Formula
C24H22FN3O2S2
SMILES
CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC)C4=CC=CC=C4)F
InChI
InChI=1S/C24H22FN3O2S2/c1-3-12-30-20-11-10-16(13-19(20)25)22-17(14-21-23(29)27(4-2)24(31)32-21)15-28(26-22)18-8-6-5-7-9-18/h5-11,13-15H,3-4,12H2,1-2H3/b21-14-
InChIKey
WVAUKVGMADRJQX-STZFKDTASA-N
Compound name
(5Z)-3-ethyl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.11374 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.12102 210.6
[M+Na]+ 490.10296 221.5
[M-H]- 466.10646 219.4
[M+NH4]+ 485.14756 220.3
[M+K]+ 506.07690 212.3
[M+H-H2O]+ 450.11100 201.9
[M+HCOO]- 512.11194 219.7
[M+CH3COO]- 526.12759 219.2
[M+Na-2H]- 488.08841 201.3
[M]+ 467.11319 214.8
[M]- 467.11429 214.8
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.