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]+ 483.248976 216.7
[M+Na]+ 505.230918 221.3
[M-H]- 481.234424 224.2
[M+NH4]+ 500.275523 223.9
[M+K]+ 521.204858 218.3
[M+H-H2O]+ 465.238960 207.7
[M+HCOO]- 527.239901 232.6
[M+CH3COO]- 541.255551 245.1
[M+Na-2H]- 503.216366 208.1
[M]+ 482.24115142 221.4
[M]- 482.24224858 221.4
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.