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]+ 465.17552 204.4
[M+Na]+ 487.15746 209.4
[M-H]- 463.16096 209.3
[M+NH4]+ 482.20206 211.7
[M+K]+ 503.13140 209.5
[M+H-H2O]+ 447.16550 194.1
[M+HCOO]- 509.16644 225.1
[M+CH3COO]- 523.18209 232.1
[M+Na-2H]- 485.14291 203.7
[M]+ 464.16769 218.7
[M]- 464.16879 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.