CID 5908753

4-(4-(benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1h-pyrrol-2(5h)-one

Structural Information

Molecular Formula
C34H40N2O6
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)OC
InChI
InChI=1S/C34H40N2O6/c1-6-35(7-2)18-19-36-31(25-14-17-28(41-8-3)29(21-25)40-5)30(33(38)34(36)39)32(37)27-16-15-26(20-23(27)4)42-22-24-12-10-9-11-13-24/h9-17,20-21,31,37H,6-8,18-19,22H2,1-5H3/b32-30+
InChIKey
HWIVJZAKSPXJMJ-NHQGMKOOSA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-5-(4-ethoxy-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

572.28864 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.29592 243.0
[M+Na]+ 595.27786 245.8
[M-H]- 571.28136 253.8
[M+NH4]+ 590.32246 246.2
[M+K]+ 611.25180 241.5
[M+H-H2O]+ 555.28590 230.8
[M+HCOO]- 617.28684 259.7
[M+CH3COO]- 631.30249 262.2
[M+Na-2H]- 593.26331 234.2
[M]+ 572.28809 249.2
[M]- 572.28919 249.2
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.