CID 42607514

Purpuritenin b

Structural Information

Molecular Formula
C19H16O3
SMILES
C/C(=C\C1=CC=CC=C1)/C(=O)C2=C(C3=C(C=C2)OC=C3)OC
InChI
InChI=1S/C19H16O3/c1-13(12-14-6-4-3-5-7-14)18(20)16-8-9-17-15(10-11-22-17)19(16)21-2/h3-12H,1-2H3/b13-12+
InChIKey
NEHCUOFNXQUQDO-OUKQBFOZSA-N
Compound name
(E)-1-(4-methoxy-1-benzofuran-5-yl)-2-methyl-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 168.0
[M+Na]+ 315.09917 176.6
[M-H]- 291.10267 176.8
[M+NH4]+ 310.14377 184.8
[M+K]+ 331.07311 173.4
[M+H-H2O]+ 275.10721 160.9
[M+HCOO]- 337.10815 190.7
[M+CH3COO]- 351.12380 202.2
[M+Na-2H]- 313.08462 171.5
[M]+ 292.10940 172.7
[M]- 292.11050 172.7
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.