CID 6475720

(e)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]prop-2-en-1-one

Structural Information

Molecular Formula
C23H28O10
SMILES
COCOC1=CC(=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OCOC)OCOC)O)OCOC
InChI
InChI=1S/C23H28O10/c1-26-12-30-17-7-5-16(21(10-17)32-14-28-3)6-8-19(24)23-20(25)9-18(31-13-27-2)11-22(23)33-15-29-4/h5-11,25H,12-15H2,1-4H3/b8-6+
InChIKey
CRPNJKORGICGJO-SOFGYWHQSA-N
Compound name
(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.16824 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.175516 204.4
[M+Na]+ 487.157458 209.4
[M-H]- 463.160964 209.3
[M+NH4]+ 482.202063 211.7
[M+K]+ 503.131398 209.5
[M+H-H2O]+ 447.165500 194.1
[M+HCOO]- 509.166441 225.1
[M+CH3COO]- 523.182091 232.1
[M+Na-2H]- 485.142906 203.7
[M]+ 464.16769142 218.7
[M]- 464.16878858 218.7
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

No patent data available for this compound.