CID 625031

Desmethoxymatteucinol

Structural Information

Molecular Formula
C17H16O4
SMILES
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)C)O
InChI
InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3
InChIKey
HAIHGFWQOPJMPV-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

14
Patents

284.10486 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 163.6
[M+Na]+ 307.09408 173.0
[M-H]- 283.09758 170.2
[M+NH4]+ 302.13868 178.4
[M+K]+ 323.06802 169.6
[M+H-H2O]+ 267.10212 156.6
[M+HCOO]- 329.10306 180.8
[M+CH3COO]- 343.11871 199.6
[M+Na-2H]- 305.07953 167.0
[M]+ 284.10431 164.1
[M]- 284.10541 164.1
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