CID 3824989

609796-74-9

Structural Information

Molecular Formula
C26H27N3O4S
SMILES
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)CC)O
InChI
InChI=1S/C26H27N3O4S/c1-4-6-15-33-20-13-11-19(12-14-20)23(30)21-22(18-9-7-17(5-2)8-10-18)29(25(32)24(21)31)26-28-27-16(3)34-26/h7-14,22,30H,4-6,15H2,1-3H3
InChIKey
PKWBONCAEBKGRN-UHFFFAOYSA-N
Compound name
4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)-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

477.17224 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.17952 217.8
[M+Na]+ 500.16146 229.8
[M+NH4]+ 495.20606 222.2
[M+K]+ 516.13540 224.8
[M-H]- 476.16496 221.8
[M+Na-2H]- 498.14691 222.6
[M]+ 477.17169 220.9
[M]- 477.17279 220.9
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.