CID 5785218

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

Structural Information

Molecular Formula
C31H31BrN2O5
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=CC=C5)Br)/O
InChI
InChI=1S/C31H31BrN2O5/c1-21-18-25(39-20-22-6-3-2-4-7-22)10-11-26(21)29(35)27-28(23-8-5-9-24(32)19-23)34(31(37)30(27)36)13-12-33-14-16-38-17-15-33/h2-11,18-19,28,35H,12-17,20H2,1H3/b29-27-
InChIKey
DWKYDHCMBARGNA-OHYPFYFLSA-N
Compound name
(4Z)-5-(3-bromophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.1416 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.14888 238.7
[M+Na]+ 613.13082 243.4
[M-H]- 589.13432 251.6
[M+NH4]+ 608.17542 241.7
[M+K]+ 629.10476 232.1
[M+H-H2O]+ 573.13886 233.4
[M+HCOO]- 635.13980 247.5
[M+CH3COO]- 649.15545 244.9
[M+Na-2H]- 611.11627 231.9
[M]+ 590.14105 254.1
[M]- 590.14215 254.1
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.