CID 454896

Ghl.pd_mitscher_leg0.215

Structural Information

Molecular Formula
C17H14O5
SMILES
COC(=O)C1=C(C=CC2=C1C3COC4=CC=CC=C4C3O2)O
InChI
InChI=1S/C17H14O5/c1-20-17(19)15-11(18)6-7-13-14(15)10-8-21-12-5-3-2-4-9(12)16(10)22-13/h2-7,10,16,18H,8H2,1H3
InChIKey
HUEIDPMALRFMJO-UHFFFAOYSA-N
Compound name
methyl 8-hydroxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 163.2
[M+Na]+ 321.07336 172.1
[M-H]- 297.07686 169.9
[M+NH4]+ 316.11796 180.1
[M+K]+ 337.04730 170.7
[M+H-H2O]+ 281.08140 157.4
[M+HCOO]- 343.08234 178.9
[M+CH3COO]- 357.09799 175.4
[M+Na-2H]- 319.05881 168.8
[M]+ 298.08359 166.8
[M]- 298.08469 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.