CID 6161915

(e)-1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)-2-propen-1-one (4)

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3
Patents

270.0892 Da
Monoisotopic Mass

3.5
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