CID 5281679

Pinoquercetin

Structural Information

Molecular Formula
C16H12O7
SMILES
CC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,17-20,22H,1H3
InChIKey
DTFXGVGIKNSCQQ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

316.0583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 168.0
[M+Na]+ 339.04752 179.4
[M-H]- 315.05102 172.1
[M+NH4]+ 334.09212 179.7
[M+K]+ 355.02146 176.2
[M+H-H2O]+ 299.05556 161.2
[M+HCOO]- 361.05650 184.1
[M+CH3COO]- 375.07215 200.0
[M+Na-2H]- 337.03297 171.2
[M]+ 316.05775 170.9
[M]- 316.05885 170.9
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