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 208.0
[M+Na]+ 459.22542 212.3
[M-H]- 435.22892 216.3
[M+NH4]+ 454.27002 217.5
[M+K]+ 475.19936 208.3
[M+H-H2O]+ 419.23346 198.5
[M+HCOO]- 481.23440 225.5
[M+CH3COO]- 495.25005 237.1
[M+Na-2H]- 457.21087 200.9
[M]+ 436.23565 210.4
[M]- 436.23675 210.4
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.