CID 3146984

3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-5-phenyl-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C28H32N2O5
SMILES
CC1=C(C=CC(=C1)OCC=C)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)O
InChI
InChI=1S/C28H32N2O5/c1-3-16-35-22-10-11-23(20(2)19-22)26(31)24-25(21-8-5-4-6-9-21)30(28(33)27(24)32)13-7-12-29-14-17-34-18-15-29/h3-6,8-11,19,25,31H,1,7,12-18H2,2H3
InChIKey
ZFYLEMUAAUBINW-UHFFFAOYSA-N
Compound name
4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2311 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.23838 218.7
[M+Na]+ 499.22032 221.6
[M-H]- 475.22382 226.8
[M+NH4]+ 494.26492 222.5
[M+K]+ 515.19426 216.0
[M+H-H2O]+ 459.22836 207.3
[M+HCOO]- 521.22930 229.8
[M+CH3COO]- 535.24495 235.7
[M+Na-2H]- 497.20577 211.4
[M]+ 476.23055 216.5
[M]- 476.23165 216.5
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.