CID 16116346

(+)-galeon

Structural Information

Molecular Formula
C20H22O4
SMILES
COC1=C2C=CC(=C1)CCCCC(=O)CCC3=CC(=C(C=C3)O)O2
InChI
InChI=1S/C20H22O4/c1-23-20-13-14-4-2-3-5-16(21)9-6-15-7-10-17(22)19(12-15)24-18(20)11-8-14/h7-8,10-13,22H,2-6,9H2,1H3
InChIKey
QUSSPXNPULRXKG-UHFFFAOYSA-N
Compound name
4-hydroxy-17-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1329
Patents

326.1518 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 173.0
[M+Na]+ 349.14102 183.6
[M+NH4]+ 344.18562 181.4
[M+K]+ 365.11496 175.4
[M-H]- 325.14452 169.6
[M+Na-2H]- 347.12647 165.8
[M]+ 326.15125 173.1
[M]- 326.15235 173.1
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