CID 5348889

Smsf0016378

Structural Information

Molecular Formula
C26H20ClNO4
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)Cl
InChI
InChI=1S/C26H20ClNO4/c1-32-21-14-12-20(13-15-21)28-24(18-8-10-19(27)11-9-18)23(25(30)26(28)31)22(29)16-7-17-5-3-2-4-6-17/h2-16,24,30H,1H3/b16-7+
InChIKey
WDLUUDAGFQCRQK-FRKPEAEDSA-N
Compound name
2-(4-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.1081 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.11538 207.2
[M+Na]+ 468.09732 215.6
[M-H]- 444.10082 217.9
[M+NH4]+ 463.14192 216.4
[M+K]+ 484.07126 207.6
[M+H-H2O]+ 428.10536 197.2
[M+HCOO]- 490.10630 222.1
[M+CH3COO]- 504.12195 227.1
[M+Na-2H]- 466.08277 203.5
[M]+ 445.10755 210.7
[M]- 445.10865 210.7
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.