CID 5491798

Gnaphaliin b

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C17H14O6/c1-21-11-8-10(18)12-13(19)14(20)15(9-6-4-3-5-7-9)23-17(12)16(11)22-2/h3-8,18,20H,1-2H3
InChIKey
CILMBWBPHLLNEH-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

314.07904 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.086316 167.8
[M+Na]+ 337.068258 178.7
[M-H]- 313.071764 175.1
[M+NH4]+ 332.112863 181.3
[M+K]+ 353.042198 176.6
[M+H-H2O]+ 297.076300 160.0
[M+HCOO]- 359.077241 188.1
[M+CH3COO]- 373.092891 203.6
[M+Na-2H]- 335.053706 173.2
[M]+ 314.07849142 174.0
[M]- 314.07958858 174.0
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