CID 3066715

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

Structural Information

Molecular Formula
C26H24O5
SMILES
CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC(=O)O)C4=CC=CC=C4)C
InChI
InChI=1S/C26H24O5/c1-26(2)25(18-7-5-4-6-8-18)24(21-14-13-20(29-3)15-22(21)31-26)17-9-11-19(12-10-17)30-16-23(27)28/h4-15H,16H2,1-3H3,(H,27,28)
InChIKey
SYQVYKVSERRSIC-UHFFFAOYSA-N
Compound name
2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.16238 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16966 200.5
[M+Na]+ 439.15160 217.1
[M+NH4]+ 434.19620 209.3
[M+K]+ 455.12554 206.9
[M-H]- 415.15510 208.4
[M+Na-2H]- 437.13705 210.3
[M]+ 416.16183 205.6
[M]- 416.16293 205.6
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.