CID 5913999

617695-62-2

Structural Information

Molecular Formula
C33H30N2O5
SMILES
CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)/O
InChI
InChI=1S/C33H30N2O5/c1-2-3-20-39-26-14-12-24(13-15-26)31(36)29-30(35(33(38)32(29)37)22-23-16-18-34-19-17-23)25-8-7-11-28(21-25)40-27-9-5-4-6-10-27/h4-19,21,30,36H,2-3,20,22H2,1H3/b31-29+
InChIKey
QXYZWUAULRYGDX-OWWNRXNESA-N
Compound name
(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.21545 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.22273 232.1
[M+Na]+ 557.20467 235.7
[M-H]- 533.20817 243.1
[M+NH4]+ 552.24927 233.9
[M+K]+ 573.17861 228.5
[M+H-H2O]+ 517.21271 218.2
[M+HCOO]- 579.21365 247.1
[M+CH3COO]- 593.22930 237.5
[M+Na-2H]- 555.19012 226.6
[M]+ 534.21490 232.5
[M]- 534.21600 232.5
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.