CID 169832

Spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one, 3',6'-dimethoxy-

Structural Information

Molecular Formula
C22H16O5
SMILES
COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3
InChIKey
GRIKUIPJBHJPPN-UHFFFAOYSA-N
Compound name
3',6'-dimethoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2124
Patents

360.09976 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10704 181.6
[M+Na]+ 383.08898 192.8
[M-H]- 359.09248 192.2
[M+NH4]+ 378.13358 198.8
[M+K]+ 399.06292 190.4
[M+H-H2O]+ 343.09702 173.3
[M+HCOO]- 405.09796 199.1
[M+CH3COO]- 419.11361 193.9
[M+Na-2H]- 381.07443 188.4
[M]+ 360.09921 187.9
[M]- 360.10031 187.9
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