CID 3704427

609795-70-2

Structural Information

Molecular Formula
C24H21Cl2N3O4S
SMILES
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C24H21Cl2N3O4S/c1-3-4-11-33-16-8-5-14(6-9-16)21(30)19-20(15-7-10-17(25)18(26)12-15)29(23(32)22(19)31)24-28-27-13(2)34-24/h5-10,12,20,30H,3-4,11H2,1-2H3
InChIKey
FFCMENGTIGKLKJ-UHFFFAOYSA-N
Compound name
4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.063 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.07028 221.4
[M+Na]+ 540.05222 235.5
[M+NH4]+ 535.09682 226.6
[M+K]+ 556.02616 229.2
[M-H]- 516.05572 225.4
[M+Na-2H]- 538.03767 226.3
[M]+ 517.06245 225.4
[M]- 517.06355 225.4
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.