CID 76573

Eucalyptin

Structural Information

Molecular Formula
C19H18O5
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3
InChIKey
NHMMAMIRMITGRD-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

213
Patents

326.11542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 173.9
[M+Na]+ 349.10464 185.5
[M-H]- 325.10814 182.6
[M+NH4]+ 344.14924 188.0
[M+K]+ 365.07858 183.1
[M+H-H2O]+ 309.11268 165.9
[M+HCOO]- 371.11362 194.9
[M+CH3COO]- 385.12927 210.8
[M+Na-2H]- 347.09009 177.8
[M]+ 326.11487 181.5
[M]- 326.11597 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.