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

literature stripe

Patent stripe

patents stripe