CID 3775894

4-[4-(benzyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C29H29FN2O4
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C29H29FN2O4/c1-19-17-23(36-18-20-7-5-4-6-8-20)13-14-24(19)27(33)25-26(21-9-11-22(30)12-10-21)32(16-15-31(2)3)29(35)28(25)34/h4-14,17,26,33H,15-16,18H2,1-3H3
InChIKey
HMWAYOBSKKSKCL-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-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

488.21112 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.21840 220.2
[M+Na]+ 511.20034 225.3
[M-H]- 487.20384 230.3
[M+NH4]+ 506.24494 227.0
[M+K]+ 527.17428 219.4
[M+H-H2O]+ 471.20838 208.1
[M+HCOO]- 533.20932 237.5
[M+CH3COO]- 547.22497 244.9
[M+Na-2H]- 509.18579 213.3
[M]+ 488.21057 220.8
[M]- 488.21167 220.8
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.