CID 16429705

4-[4-(allyloxy)benzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-phenyl-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H30N2O4
SMILES
CCN(CC)CCN1C(/C(=C(\C2=CC=C(C=C2)OCC=C)/O)/C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C26H30N2O4/c1-4-18-32-21-14-12-20(13-15-21)24(29)22-23(19-10-8-7-9-11-19)28(26(31)25(22)30)17-16-27(5-2)6-3/h4,7-15,23,29H,1,5-6,16-18H2,2-3H3/b24-22-
InChIKey
GJCSXUSXJRFXAE-GYHWCHFESA-N
Compound name
(4Z)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.22055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22783 207.7
[M+Na]+ 457.20977 211.7
[M-H]- 433.21327 215.4
[M+NH4]+ 452.25437 216.9
[M+K]+ 473.18371 206.3
[M+H-H2O]+ 417.21781 197.6
[M+HCOO]- 479.21875 226.3
[M+CH3COO]- 493.23440 234.1
[M+Na-2H]- 455.19522 202.2
[M]+ 434.22000 209.5
[M]- 434.22110 209.5
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.