CID 1924867

(5z)-2-imino-5-{[1-phenyl-3-(4-propoxyphenyl)-1h-pyrazol-4-yl]methylene}-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C22H20N4O2S
SMILES
CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)C4=CC=CC=C4
InChI
InChI=1S/C22H20N4O2S/c1-2-12-28-18-10-8-15(9-11-18)20-16(13-19-21(27)24-22(23)29-19)14-26(25-20)17-6-4-3-5-7-17/h3-11,13-14H,2,12H2,1H3,(H2,23,24,27)/b19-13-
InChIKey
HWVRBHBCKZIHJD-UYRXBGFRSA-N
Compound name
(5Z)-2-amino-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

404.1307 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13798 196.9
[M+Na]+ 427.11992 210.4
[M+NH4]+ 422.16452 203.4
[M+K]+ 443.09386 204.2
[M-H]- 403.12342 203.1
[M+Na-2H]- 425.10537 205.2
[M]+ 404.13015 200.9
[M]- 404.13125 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.