CID 5826039

499210-42-3

Structural Information

Molecular Formula
C32H36N2O6
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)O)OC
InChI
InChI=1S/C32H36N2O6/c1-5-33(6-2)16-17-34-29(23-12-15-26(35)27(19-23)39-4)28(31(37)32(34)38)30(36)25-14-13-24(18-21(25)3)40-20-22-10-8-7-9-11-22/h7-15,18-19,29,35-36H,5-6,16-17,20H2,1-4H3/b30-28+
InChIKey
QLRPWAUDTVALBC-SJCQXOIGSA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-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

544.2573 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.26458 237.0
[M+Na]+ 567.24652 248.3
[M+NH4]+ 562.29112 240.1
[M+K]+ 583.22046 243.6
[M-H]- 543.25002 242.2
[M+Na-2H]- 565.23197 241.7
[M]+ 544.25675 239.8
[M]- 544.25785 239.8
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.