CID 9927489

Diapocynin

Structural Information

Molecular Formula
C18H18O6
SMILES
CC(=O)C1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)C(=O)C)OC)O
InChI
InChI=1S/C18H18O6/c1-9(19)11-5-13(17(21)15(7-11)23-3)14-6-12(10(2)20)8-16(24-4)18(14)22/h5-8,21-22H,1-4H3
InChIKey
HLNDPICGHQGWSU-UHFFFAOYSA-N
Compound name
1-[3-(5-acetyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

82
Patents

330.11035 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 172.1
[M+Na]+ 353.09957 180.7
[M-H]- 329.10307 177.4
[M+NH4]+ 348.14417 185.1
[M+K]+ 369.07351 178.5
[M+H-H2O]+ 313.10761 164.9
[M+HCOO]- 375.10855 191.5
[M+CH3COO]- 389.12420 209.5
[M+Na-2H]- 351.08502 170.9
[M]+ 330.10980 177.3
[M]- 330.11090 177.3
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