CID 3248614

1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C27H34N2O6
SMILES
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)O)OC)O)OCC(C)C
InChI
InChI=1S/C27H34N2O6/c1-16(2)15-35-21-10-8-19(13-17(21)3)25(31)23-24(18-7-9-20(30)22(14-18)34-6)29(12-11-28(4)5)27(33)26(23)32/h7-10,13-14,16,24,30-31H,11-12,15H2,1-6H3
InChIKey
MSRJQCHRKMHWMB-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.2417 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.24898 218.9
[M+Na]+ 505.23092 228.1
[M+NH4]+ 500.27552 221.7
[M+K]+ 521.20486 225.9
[M-H]- 481.23442 221.2
[M+Na-2H]- 503.21637 220.7
[M]+ 482.24115 220.4
[M]- 482.24225 220.4
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.