CID 118907

36086-89-2

Structural Information

Molecular Formula
C23H22O8
SMILES
CCOC(=O)COC1=CC2=C(C(=C1)OCC(=O)OCC)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C23H22O8/c1-3-27-21(25)13-29-16-10-19(30-14-22(26)28-4-2)23-17(24)12-18(31-20(23)11-16)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3
InChIKey
ITJJTERMXJOUEE-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-4-oxo-2-phenylchromen-7-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

426.13147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13875 198.0
[M+Na]+ 449.12069 204.6
[M-H]- 425.12419 206.1
[M+NH4]+ 444.16529 206.9
[M+K]+ 465.09463 204.3
[M+H-H2O]+ 409.12873 187.8
[M+HCOO]- 471.12967 217.8
[M+CH3COO]- 485.14532 226.7
[M+Na-2H]- 447.10614 200.4
[M]+ 426.13092 208.7
[M]- 426.13202 208.7
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.