CID 5942928

383899-48-7

Structural Information

Molecular Formula
C30H38N2O5
SMILES
CCC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC(C)C)C)\O)/C(=O)C(=O)N2CCCN4CCOCC4
InChI
InChI=1S/C30H38N2O5/c1-5-22-7-9-23(10-8-22)27-26(28(33)24-11-12-25(21(4)19-24)37-20(2)3)29(34)30(35)32(27)14-6-13-31-15-17-36-18-16-31/h7-12,19-20,27,33H,5-6,13-18H2,1-4H3/b28-26+
InChIKey
TUSQZVDZBYFQAX-BYCLXTJYSA-N
Compound name
(4E)-5-(4-ethylphenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.27808 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.28536 227.8
[M+Na]+ 529.26730 230.0
[M-H]- 505.27080 236.0
[M+NH4]+ 524.31190 230.6
[M+K]+ 545.24124 225.4
[M+H-H2O]+ 489.27534 216.6
[M+HCOO]- 551.27628 237.0
[M+CH3COO]- 565.29193 244.3
[M+Na-2H]- 527.25275 217.9
[M]+ 506.27753 226.9
[M]- 506.27863 226.9
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.