CID 5349239

3-hydroxy-1-(4-methoxyphenyl)-5-(4-nitrophenyl)-4-[(2e)-3-phenylprop-2-enoyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H20N2O6
SMILES
COC1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C26H20N2O6/c1-34-21-14-12-19(13-15-21)27-24(18-8-10-20(11-9-18)28(32)33)23(25(30)26(27)31)22(29)16-7-17-5-3-2-4-6-17/h2-16,24,30H,1H3/b16-7+
InChIKey
WBBRAAAPNWXDOB-FRKPEAEDSA-N
Compound name
4-hydroxy-1-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.13214 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.13942 209.7
[M+Na]+ 479.12136 214.0
[M-H]- 455.12486 220.2
[M+NH4]+ 474.16596 215.8
[M+K]+ 495.09530 204.3
[M+H-H2O]+ 439.12940 202.9
[M+HCOO]- 501.13034 229.5
[M+CH3COO]- 515.14599 224.8
[M+Na-2H]- 477.10681 209.0
[M]+ 456.13159 208.8
[M]- 456.13269 208.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.