CID 12444409

Tlatlancuayin

Structural Information

Molecular Formula
C18H14O6
SMILES
COC1=CC=CC=C1C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4
InChI
InChI=1S/C18H14O6/c1-20-12-6-4-3-5-10(12)11-8-22-13-7-14-17(24-9-23-14)18(21-2)15(13)16(11)19/h3-8H,9H2,1-2H3
InChIKey
WJYNIPMSQPXGGO-UHFFFAOYSA-N
Compound name
9-methoxy-7-(2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

326.07904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08632 170.5
[M+Na]+ 349.06826 181.6
[M-H]- 325.07176 182.3
[M+NH4]+ 344.11286 184.7
[M+K]+ 365.04220 182.2
[M+H-H2O]+ 309.07630 163.7
[M+HCOO]- 371.07724 190.7
[M+CH3COO]- 385.09289 184.1
[M+Na-2H]- 347.05371 177.2
[M]+ 326.07849 179.5
[M]- 326.07959 179.5
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