CID 5923494

(4e)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione

Structural Information

Molecular Formula
C30H38N2O5
SMILES
CCCCOC1=CC(=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)C)/O)C
InChI
InChI=1S/C30H38N2O5/c1-4-5-17-37-24-11-12-25(22(3)20-24)28(33)26-27(23-9-7-21(2)8-10-23)32(30(35)29(26)34)14-6-13-31-15-18-36-19-16-31/h7-12,20,27,33H,4-6,13-19H2,1-3H3/b28-26+
InChIKey
LNZCJTBOHCXMQQ-BYCLXTJYSA-N
Compound name
(4E)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-5-(4-methylphenyl)-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 228.6
[M+Na]+ 529.26730 231.1
[M-H]- 505.27080 236.6
[M+NH4]+ 524.31190 231.5
[M+K]+ 545.24124 225.8
[M+H-H2O]+ 489.27534 217.0
[M+HCOO]- 551.27628 238.7
[M+CH3COO]- 565.29193 243.4
[M+Na-2H]- 527.25275 219.6
[M]+ 506.27753 228.2
[M]- 506.27863 228.2
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.