CID 3725369

609795-75-7

Structural Information

Molecular Formula
C26H27N3O5S
SMILES
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)OCC)O
InChI
InChI=1S/C26H27N3O5S/c1-4-6-15-34-20-13-9-18(10-14-20)23(30)21-22(17-7-11-19(12-8-17)33-5-2)29(25(32)24(21)31)26-28-27-16(3)35-26/h7-14,22,30H,4-6,15H2,1-3H3
InChIKey
FWGTXFVOJPLMCU-UHFFFAOYSA-N
Compound name
4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-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

493.16714 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.17442 220.7
[M+Na]+ 516.15636 232.2
[M+NH4]+ 511.20096 224.5
[M+K]+ 532.13030 227.8
[M-H]- 492.15986 224.2
[M+Na-2H]- 514.14181 225.1
[M]+ 493.16659 223.5
[M]- 493.16769 223.5
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.