CID 6438866

76554-66-0

Structural Information

Molecular Formula
C19H20O5
SMILES
CCOC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C19H20O5/c1-4-24-15-11-17(21)19(18(12-15)23-3)16(20)10-7-13-5-8-14(22-2)9-6-13/h5-12,21H,4H2,1-3H3/b10-7+
InChIKey
IZRDKZYYVCGVRH-JXMROGBWSA-N
Compound name
(E)-1-(4-ethoxy-2-hydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

27
Patents

328.13107 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 175.6
[M+Na]+ 351.12029 183.1
[M-H]- 327.12379 181.2
[M+NH4]+ 346.16489 189.1
[M+K]+ 367.09423 179.8
[M+H-H2O]+ 311.12833 167.5
[M+HCOO]- 373.12927 197.1
[M+CH3COO]- 387.14492 208.2
[M+Na-2H]- 349.10574 176.6
[M]+ 328.13052 181.2
[M]- 328.13162 181.2
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