CID 11835410

3-hydroxy-5-(4-isopropylphenyl)-4-(4-methylbenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C24H23N3O3S
SMILES
CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)C(C)C)/O
InChI
InChI=1S/C24H23N3O3S/c1-13(2)16-9-11-17(12-10-16)20-19(21(28)18-7-5-14(3)6-8-18)22(29)23(30)27(20)24-26-25-15(4)31-24/h5-13,20,28H,1-4H3/b21-19-
InChIKey
XKOHWOAHKYRRNW-VZCXRCSSSA-N
Compound name
(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.14603 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15331 205.2
[M+Na]+ 456.13525 217.8
[M+NH4]+ 451.17985 210.5
[M+K]+ 472.10919 213.6
[M-H]- 432.13875 209.6
[M+Na-2H]- 454.12070 210.8
[M]+ 433.14548 208.6
[M]- 433.14658 208.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.