CID 3148764

3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1-(3-methoxypropyl)-5-(3-pyridinyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C24H28N2O5
SMILES
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCOC)C3=CN=CC=C3)O)OC(C)C
InChI
InChI=1S/C24H28N2O5/c1-15(2)31-19-9-8-17(13-16(19)3)22(27)20-21(18-7-5-10-25-14-18)26(11-6-12-30-4)24(29)23(20)28/h5,7-10,13-15,21,27H,6,11-12H2,1-4H3
InChIKey
YKIVSPLGHXDHCC-UHFFFAOYSA-N
Compound name
4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-methoxypropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.19983 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20711 204.2
[M+Na]+ 447.18905 215.3
[M+NH4]+ 442.23365 207.9
[M+K]+ 463.16299 211.8
[M-H]- 423.19255 206.1
[M+Na-2H]- 445.17450 207.7
[M]+ 424.19928 206.0
[M]- 424.20038 206.0
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.