CID 602155

(+/-)-matteucinol

Structural Information

Molecular Formula
C18H18O5
SMILES
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)OC)C)O
InChI
InChI=1S/C18H18O5/c1-9-16(20)10(2)18-15(17(9)21)13(19)8-14(23-18)11-4-6-12(22-3)7-5-11/h4-7,14,20-21H,8H2,1-3H3
InChIKey
DZTRDRPCROOSOG-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

135
Patents

314.11542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 171.2
[M+Na]+ 337.10464 180.8
[M-H]- 313.10814 177.9
[M+NH4]+ 332.14924 185.0
[M+K]+ 353.07858 178.1
[M+H-H2O]+ 297.11268 163.9
[M+HCOO]- 359.11362 188.1
[M+CH3COO]- 373.12927 206.3
[M+Na-2H]- 335.09009 173.5
[M]+ 314.11487 173.9
[M]- 314.11597 173.9
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