CID 6442675

Echinatin

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
InChIKey
QJKMIJNRNRLQSS-WEVVVXLNSA-N
Compound name
(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

188
Patents

270.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 159.8
[M+Na]+ 293.078418 167.5
[M-H]- 269.081924 164.4
[M+NH4]+ 288.123023 174.8
[M+K]+ 309.052358 163.2
[M+H-H2O]+ 253.086460 152.8
[M+HCOO]- 315.087401 180.8
[M+CH3COO]- 329.103051 193.4
[M+Na-2H]- 291.063866 162.6
[M]+ 270.08865142 160.7
[M]- 270.08974858 160.7
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

patents stripe