CID 3146976

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

Structural Information

Molecular Formula
C25H28N2O4
SMILES
CC1=C(C=CC(=C1)OCC=C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3)O
InChI
InChI=1S/C25H28N2O4/c1-5-15-31-19-11-12-20(17(2)16-19)23(28)21-22(18-9-7-6-8-10-18)27(14-13-26(3)4)25(30)24(21)29/h5-12,16,22,28H,1,13-15H2,2-4H3
InChIKey
LTTCZYUXBSMIFC-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2049 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.21218 202.9
[M+Na]+ 443.19412 208.3
[M-H]- 419.19762 211.3
[M+NH4]+ 438.23872 213.1
[M+K]+ 459.16806 203.2
[M+H-H2O]+ 403.20216 193.4
[M+HCOO]- 465.20310 221.9
[M+CH3COO]- 479.21875 232.6
[M+Na-2H]- 441.17957 197.4
[M]+ 420.20435 204.9
[M]- 420.20545 204.9
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.