CID 6177798

488805-01-2

Structural Information

Molecular Formula
C33H38N2O5
SMILES
CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=C(C=C4)OCC
InChI
InChI=1S/C33H38N2O5/c1-5-34(6-2)19-20-35-30(25-13-15-26(16-14-25)39-7-3)29(32(37)33(35)38)31(36)28-18-17-27(21-23(28)4)40-22-24-11-9-8-10-12-24/h8-18,21,30,36H,5-7,19-20,22H2,1-4H3/b31-29+
InChIKey
QIZDWMHXOQUGKY-OWWNRXNESA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.2781 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.28538 236.4
[M+Na]+ 565.26732 239.2
[M-H]- 541.27082 247.1
[M+NH4]+ 560.31192 240.8
[M+K]+ 581.24126 234.1
[M+H-H2O]+ 525.27536 224.3
[M+HCOO]- 587.27630 253.5
[M+CH3COO]- 601.29195 255.9
[M+Na-2H]- 563.25277 228.4
[M]+ 542.27755 240.5
[M]- 542.27865 240.5
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.