CID 3066710

111038-34-7

Structural Information

Molecular Formula
C26H22O6
SMILES
CCOC(=O)COC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C26H22O6/c1-3-30-23(27)16-31-19-11-9-18(10-12-19)24-21-14-13-20(29-2)15-22(21)32-26(28)25(24)17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3
InChIKey
WSHXYLCAMYHQCJ-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(7-methoxy-2-oxo-3-phenylchromen-4-yl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.14163 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14891 204.0
[M+Na]+ 453.13085 211.7
[M-H]- 429.13435 215.4
[M+NH4]+ 448.17545 212.6
[M+K]+ 469.10479 209.1
[M+H-H2O]+ 413.13889 192.5
[M+HCOO]- 475.13983 224.2
[M+CH3COO]- 489.15548 229.1
[M+Na-2H]- 451.11630 206.8
[M]+ 430.14108 211.6
[M]- 430.14218 211.6
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.