CID 11022691

Purpuritenin a

Structural Information

Molecular Formula
C19H16O3
SMILES
CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C=C2)OC=C3)OC
InChI
InChI=1S/C19H16O3/c1-13-3-5-14(6-4-13)7-9-17(20)15-8-10-18-16(11-12-22-18)19(15)21-2/h3-12H,1-2H3/b9-7+
InChIKey
JAZVSCKRKREELH-VQHVLOKHSA-N
Compound name
(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-(4-methylphenyl)prop-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 167.4
[M+Na]+ 315.09917 177.3
[M-H]- 291.10267 176.6
[M+NH4]+ 310.14377 184.6
[M+K]+ 331.07311 173.6
[M+H-H2O]+ 275.10721 160.4
[M+HCOO]- 337.10815 191.2
[M+CH3COO]- 351.12380 202.5
[M+Na-2H]- 313.08462 171.5
[M]+ 292.10940 173.1
[M]- 292.11050 173.1
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.