CID 480767

Antiarone f

Structural Information

Molecular Formula
C22H24O6
SMILES
CC(=CCC1=C(C=CC(=C1OC)OC)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C
InChI
InChI=1S/C22H24O6/c1-12(2)5-6-15-14(7-8-18(26-3)22(15)27-4)19-11-17(25)21-16(24)9-13(23)10-20(21)28-19/h5,7-10,19,23-24H,6,11H2,1-4H3
InChIKey
AUNLUWJOQFJDDA-UHFFFAOYSA-N
Compound name
2-[3,4-dimethoxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

384.1573 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16458 191.0
[M+Na]+ 407.14652 198.5
[M-H]- 383.15002 197.0
[M+NH4]+ 402.19112 201.6
[M+K]+ 423.12046 195.8
[M+H-H2O]+ 367.15456 182.9
[M+HCOO]- 429.15550 205.8
[M+CH3COO]- 443.17115 220.2
[M+Na-2H]- 405.13197 190.2
[M]+ 384.15675 195.1
[M]- 384.15785 195.1
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