CID 16429496

4-[4-(allyloxy)benzoyl]-3-hydroxy-1-(2-methoxyethyl)-5-(3-nitrophenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C23H22N2O7
SMILES
COCCN1C(/C(=C(\C2=CC=C(C=C2)OCC=C)/O)/C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H22N2O7/c1-3-12-32-18-9-7-15(8-10-18)21(26)19-20(16-5-4-6-17(14-16)25(29)30)24(11-13-31-2)23(28)22(19)27/h3-10,14,20,26H,1,11-13H2,2H3/b21-19-
InChIKey
ZHQVMUUQOJEDFE-VZCXRCSSSA-N
Compound name
(4Z)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1427 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.14998 203.6
[M+Na]+ 461.13192 207.7
[M-H]- 437.13542 210.7
[M+NH4]+ 456.17652 211.1
[M+K]+ 477.10586 198.9
[M+H-H2O]+ 421.13996 198.5
[M+HCOO]- 483.14090 222.5
[M+CH3COO]- 497.15655 221.4
[M+Na-2H]- 459.11737 202.0
[M]+ 438.14215 203.8
[M]- 438.14325 203.8
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.