CID 325556

79592-96-4

Structural Information

Molecular Formula
C25H22O6
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=C(C(=C(C=C3)OC)OC)OCC4=CC=CC=C4
InChI
InChI=1S/C25H22O6/c1-27-17-9-10-19-22(13-17)30-15-20(23(19)26)18-11-12-21(28-2)25(29-3)24(18)31-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
InChIKey
YSMQXJKDMNGBDX-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxy-2-phenylmethoxyphenyl)-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.14163 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14891 200.8
[M+Na]+ 441.13085 209.9
[M-H]- 417.13435 212.7
[M+NH4]+ 436.17545 210.4
[M+K]+ 457.10479 207.6
[M+H-H2O]+ 401.13889 189.4
[M+HCOO]- 463.13983 222.1
[M+CH3COO]- 477.15548 227.8
[M+Na-2H]- 439.11630 204.5
[M]+ 418.14108 209.8
[M]- 418.14218 209.8
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.