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

1
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

patents stripe