CID 3801001

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

Structural Information

Molecular Formula
C26H32N2O4
SMILES
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3)O
InChI
InChI=1S/C26H32N2O4/c1-17(2)16-32-20-11-12-21(18(3)15-20)24(29)22-23(19-9-7-6-8-10-19)28(14-13-27(4)5)26(31)25(22)30/h6-12,15,17,23,29H,13-14,16H2,1-5H3
InChIKey
XVICLTCPQRQVBY-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2362 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.24348 208.9
[M+Na]+ 459.22542 219.1
[M+NH4]+ 454.27002 213.4
[M+K]+ 475.19936 215.3
[M-H]- 435.22892 212.5
[M+Na-2H]- 457.21087 212.8
[M]+ 436.23565 211.0
[M]- 436.23675 211.0
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.