CID 6475719

Mls000697630

Structural Information

Molecular Formula
C21H24O8
SMILES
COCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OCOC)OCOC)O
InChI
InChI=1S/C21H24O8/c1-24-12-27-16-7-4-15(5-8-16)6-9-18(22)21-19(23)10-17(28-13-25-2)11-20(21)29-14-26-3/h4-11,23H,12-14H2,1-3H3/b9-6+
InChIKey
ZXLLXKCREJNXEP-RMKNXTFCSA-N
Compound name
(E)-1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-[4-(methoxymethoxy)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

404.14713 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15441 192.1
[M+Na]+ 427.13635 197.8
[M-H]- 403.13985 197.1
[M+NH4]+ 422.18095 201.9
[M+K]+ 443.11029 196.4
[M+H-H2O]+ 387.14439 182.6
[M+HCOO]- 449.14533 213.3
[M+CH3COO]- 463.16098 220.6
[M+Na-2H]- 425.12180 192.5
[M]+ 404.14658 202.6
[M]- 404.14768 202.6
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.