CID 3066711

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

Structural Information

Molecular Formula
C24H18O6
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC(=O)O
InChI
InChI=1S/C24H18O6/c1-28-18-11-12-19-20(13-18)30-24(27)23(15-5-3-2-4-6-15)22(19)16-7-9-17(10-8-16)29-14-21(25)26/h2-13H,14H2,1H3,(H,25,26)
InChIKey
ZZYOAFXVECIRKN-UHFFFAOYSA-N
Compound name
2-[4-(7-methoxy-2-oxo-3-phenylchromen-4-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.11035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11763 194.3
[M+Na]+ 425.09957 202.5
[M-H]- 401.10307 204.8
[M+NH4]+ 420.14417 203.4
[M+K]+ 441.07351 199.5
[M+H-H2O]+ 385.10761 183.6
[M+HCOO]- 447.10855 213.8
[M+CH3COO]- 461.12420 221.8
[M+Na-2H]- 423.08502 197.9
[M]+ 402.10980 199.7
[M]- 402.11090 199.7
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.