CID 6475721

Mls000697648

Structural Information

Molecular Formula
C23H28O10
SMILES
COCOC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OCOC)OCOC)O)OCOC
InChI
InChI=1S/C23H28O10/c1-26-12-30-17-10-19(25)23(22(11-17)33-15-29-4)18(24)7-5-16-6-8-20(31-13-27-2)21(9-16)32-14-28-3/h5-11,25H,12-15H2,1-4H3/b7-5+
InChIKey
QFHIMBFWWKHSJP-FNORWQNLSA-N
Compound name
(E)-3-[3,4-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

7
References

7
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

patents stripe