CID 5826043

4-(4-ethoxy-3-methylbenzoyl)-1-(3-ethoxypropyl)-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H31NO5
SMILES
CCOCCCN1C(/C(=C(/C2=CC(=C(C=C2)OCC)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C26H31NO5/c1-5-31-15-7-14-27-23(19-10-8-17(3)9-11-19)22(25(29)26(27)30)24(28)20-12-13-21(32-6-2)18(4)16-20/h8-13,16,23,28H,5-7,14-15H2,1-4H3/b24-22+
InChIKey
RCWPSTBWUZGDRM-ZNTNEXAZSA-N
Compound name
(4E)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-1-(3-ethoxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.2202 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.22748 207.4
[M+Na]+ 460.20942 213.5
[M-H]- 436.21292 214.6
[M+NH4]+ 455.25402 216.9
[M+K]+ 476.18336 208.2
[M+H-H2O]+ 420.21746 198.2
[M+HCOO]- 482.21840 224.4
[M+CH3COO]- 496.23405 231.3
[M+Na-2H]- 458.19487 200.9
[M]+ 437.21965 211.7
[M]- 437.22075 211.7
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.