CID 5349319

Smsf0017296

Structural Information

Molecular Formula
C26H20BrNO3
SMILES
CC1=CC=CC=C1N2C(C(=C(C2=O)O)C(=O)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H20BrNO3/c1-17-7-5-6-10-21(17)28-24(19-12-14-20(27)15-13-19)23(25(30)26(28)31)22(29)16-11-18-8-3-2-4-9-18/h2-16,24,30H,1H3/b16-11+
InChIKey
ZJOFYPMVDCVIQT-LFIBNONCSA-N
Compound name
2-(4-bromophenyl)-4-hydroxy-1-(2-methylphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

473.06265 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.06993 209.0
[M+Na]+ 496.05187 218.7
[M-H]- 472.05537 221.6
[M+NH4]+ 491.09647 220.3
[M+K]+ 512.02581 204.9
[M+H-H2O]+ 456.05991 205.8
[M+HCOO]- 518.06085 225.8
[M+CH3COO]- 532.07650 219.5
[M+Na-2H]- 494.03732 206.5
[M]+ 473.06210 227.0
[M]- 473.06320 227.0
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.