CID 15291875

Kanzonol d

Structural Information

Molecular Formula
C20H18O4
SMILES
CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)C
InChI
InChI=1S/C20H18O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-11,21-22H,4H2,1-2H3
InChIKey
NRUOYYDQBWDRKE-UHFFFAOYSA-N
Compound name
7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

202
Patents

322.1205 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 175.0
[M+Na]+ 345.10972 184.1
[M-H]- 321.11322 181.5
[M+NH4]+ 340.15432 188.0
[M+K]+ 361.08366 179.7
[M+H-H2O]+ 305.11776 167.2
[M+HCOO]- 367.11870 193.2
[M+CH3COO]- 381.13435 206.2
[M+Na-2H]- 343.09517 178.1
[M]+ 322.11995 177.4
[M]- 322.12105 177.4
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

patents stripe