CID 388155

Nsc682719

Structural Information

Molecular Formula
C19H16O6
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)OC
InChI
InChI=1S/C19H16O6/c1-23-13-8-6-11(7-9-13)18-19(24-2)16(22)14-5-3-4-12(10-15(20)21)17(14)25-18/h3-9H,10H2,1-2H3,(H,20,21)
InChIKey
RAHMRPZPSDMNKC-UHFFFAOYSA-N
Compound name
2-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.0947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 175.4
[M+Na]+ 363.08392 184.9
[M-H]- 339.08742 183.4
[M+NH4]+ 358.12852 188.0
[M+K]+ 379.05786 183.0
[M+H-H2O]+ 323.09196 166.9
[M+HCOO]- 385.09290 195.7
[M+CH3COO]- 399.10855 210.7
[M+Na-2H]- 361.06937 179.7
[M]+ 340.09415 182.3
[M]- 340.09525 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.