CID 5900103

(5z)-2-(4-benzyl-1-piperazinyl)-5-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1h-pyrazol-4-yl]methylene}-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C34H35N5O2S
SMILES
CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C34H35N5O2S/c1-3-20-41-30-15-14-27(21-25(30)2)32-28(24-39(36-32)29-12-8-5-9-13-29)22-31-33(40)35-34(42-31)38-18-16-37(17-19-38)23-26-10-6-4-7-11-26/h4-15,21-22,24H,3,16-20,23H2,1-2H3/b31-22-
InChIKey
WLQPDFDMPDOQLZ-VAMRJTSQSA-N
Compound name
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.25116 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.25844 240.6
[M+Na]+ 600.24038 256.5
[M+NH4]+ 595.28498 246.2
[M+K]+ 616.21432 248.1
[M-H]- 576.24388 249.8
[M+Na-2H]- 598.22583 250.6
[M]+ 577.25061 246.0
[M]- 577.25171 246.0
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.