CID 5822988

371927-22-9

Structural Information

Molecular Formula
C29H38N2O6
SMILES
CCN(CC)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC(C)C)C)\O)/C(=O)C1=O)C3=CC(=C(C=C3)O)OCC
InChI
InChI=1S/C29H38N2O6/c1-7-30(8-2)14-15-31-26(20-10-12-22(32)24(17-20)36-9-3)25(28(34)29(31)35)27(33)21-11-13-23(19(6)16-21)37-18(4)5/h10-13,16-18,26,32-33H,7-9,14-15H2,1-6H3/b27-25+
InChIKey
NLXAGJBJEZOJLK-IMVLJIQESA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.27298 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.28026 227.5
[M+Na]+ 533.26220 236.2
[M+NH4]+ 528.30680 229.9
[M+K]+ 549.23614 233.6
[M-H]- 509.26570 229.6
[M+Na-2H]- 531.24765 228.8
[M]+ 510.27243 228.9
[M]- 510.27353 228.9
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.