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 202.3
[M+Na]+ 439.15160 209.8
[M-H]- 415.15510 212.4
[M+NH4]+ 434.19620 213.1
[M+K]+ 455.12554 206.7
[M+H-H2O]+ 399.15964 191.8
[M+HCOO]- 461.16058 219.5
[M+CH3COO]- 475.17623 225.7
[M+Na-2H]- 437.13705 205.0
[M]+ 416.16183 206.7
[M]- 416.16293 206.7
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.