CID 44259908

Platanin 3-methyl ether

Structural Information

Molecular Formula
C17H14O6
SMILES
CC1=C(C2=C(C(=C1O)O)OC(=C(C2=O)OC)C3=CC=CC=C3)O
InChI
InChI=1S/C17H14O6/c1-8-11(18)10-13(20)17(22-2)15(9-6-4-3-5-7-9)23-16(10)14(21)12(8)19/h3-7,18-19,21H,1-2H3
InChIKey
IFIXOQWXDOUKGO-UHFFFAOYSA-N
Compound name
5,7,8-trihydroxy-3-methoxy-6-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 168.5
[M+Na]+ 337.06826 179.8
[M-H]- 313.07176 174.8
[M+NH4]+ 332.11286 181.6
[M+K]+ 353.04220 177.0
[M+H-H2O]+ 297.07630 161.1
[M+HCOO]- 359.07724 187.2
[M+CH3COO]- 373.09289 202.9
[M+Na-2H]- 335.05371 172.7
[M]+ 314.07849 173.4
[M]- 314.07959 173.4
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

No patent data available for this compound.