CID 5925551

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

Structural Information

Molecular Formula
C35H40N2O5
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=C(C=C5)C(C)(C)C)/O
InChI
InChI=1S/C35H40N2O5/c1-24-22-28(42-23-25-8-6-5-7-9-25)14-15-29(24)32(38)30-31(26-10-12-27(13-11-26)35(2,3)4)37(34(40)33(30)39)17-16-36-18-20-41-21-19-36/h5-15,22,31,38H,16-21,23H2,1-4H3/b32-30+
InChIKey
KYXNLJLLQHZULP-NHQGMKOOSA-N
Compound name
(4E)-5-(4-tert-butylphenyl)-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

568.2937 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.30098 243.1
[M+Na]+ 591.28292 244.6
[M-H]- 567.28642 254.0
[M+NH4]+ 586.32752 242.6
[M+K]+ 607.25686 239.3
[M+H-H2O]+ 551.29096 230.3
[M+HCOO]- 613.29190 250.8
[M+CH3COO]- 627.30755 253.9
[M+Na-2H]- 589.26837 234.9
[M]+ 568.29315 240.8
[M]- 568.29425 240.8
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.