CID 44258710

Sylpin

Structural Information

Molecular Formula
C17H14O6
SMILES
CC1=CC(=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C17H14O6/c1-8-7-11(19)13(20)12-14(21)17(22-2)16(23-15(8)12)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3
InChIKey
BUWDKAOCACVEON-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

314.07904 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 169.3
[M+Na]+ 337.06826 185.1
[M+NH4]+ 332.11286 175.8
[M+K]+ 353.04220 179.7
[M-H]- 313.07176 173.6
[M+Na-2H]- 335.05371 174.9
[M]+ 314.07849 172.8
[M]- 314.07959 172.8
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