CID 44258706

3'-o-methylmelanoxetin

Structural Information

Molecular Formula
C16H12O7
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O
InChI
InChI=1S/C16H12O7/c1-22-11-6-7(2-4-9(11)17)15-14(21)12(19)8-3-5-10(18)13(20)16(8)23-15/h2-6,17-18,20-21H,1H3
InChIKey
LATGNVTUYQHKQK-UHFFFAOYSA-N
Compound name
3,7,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.0583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 167.0
[M+Na]+ 339.04752 178.0
[M-H]- 315.05102 172.1
[M+NH4]+ 334.09212 179.1
[M+K]+ 355.02146 175.4
[M+H-H2O]+ 299.05556 159.7
[M+HCOO]- 361.05650 184.7
[M+CH3COO]- 375.07215 200.4
[M+Na-2H]- 337.03297 171.5
[M]+ 316.05775 171.2
[M]- 316.05885 171.2
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