CID 11724915

Iriskashmirianin

Structural Information

Molecular Formula
C18H14O7
SMILES
COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O
InChI
InChI=1S/C18H14O7/c1-21-12-5-9(3-4-11(12)19)10-7-23-13-6-14-17(25-8-24-14)18(22-2)15(13)16(10)20/h3-7,19H,8H2,1-2H3
InChIKey
NENMWHDSDRXUKW-UHFFFAOYSA-N
Compound name
7-(4-hydroxy-3-methoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

342.07394 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.7
[M+Na]+ 365.06316 185.0
[M-H]- 341.06666 184.6
[M+NH4]+ 360.10776 186.7
[M+K]+ 381.03710 185.5
[M+H-H2O]+ 325.07120 167.2
[M+HCOO]- 387.07214 192.5
[M+CH3COO]- 401.08779 186.8
[M+Na-2H]- 363.04861 179.6
[M]+ 342.07339 182.9
[M]- 342.07449 182.9
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