CID 3066714

Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2h-1-benzopyran-4-yl)phenoxy)-, ethyl ester

Structural Information

Molecular Formula
C28H28O5
SMILES
CCOC(=O)COC1=CC=C(C=C1)C2=C(C(OC3=C2C=CC(=C3)OC)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C28H28O5/c1-5-31-25(29)18-32-21-13-11-19(12-14-21)26-23-16-15-22(30-4)17-24(23)33-28(2,3)27(26)20-9-7-6-8-10-20/h6-17H,5,18H2,1-4H3
InChIKey
YWHRVLXDJOGESS-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.19366 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.20094 209.0
[M+Na]+ 467.18288 225.7
[M+NH4]+ 462.22748 217.8
[M+K]+ 483.15682 214.7
[M-H]- 443.18638 217.3
[M+Na-2H]- 465.16833 218.9
[M]+ 444.19311 214.3
[M]- 444.19421 214.3
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.