CID 160396

2'-hydroxymatteucinol

Structural Information

Molecular Formula
C18H18O6
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)OC)O)C)O
InChI
InChI=1S/C18H18O6/c1-8-16(21)9(2)18-15(17(8)22)13(20)7-14(24-18)11-5-4-10(23-3)6-12(11)19/h4-6,14,19,21-22H,7H2,1-3H3/t14-/m0/s1
InChIKey
HQZOFVWMNZVZIG-AWEZNQCLSA-N
Compound name
(2S)-5,7-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

330.11035 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 174.6
[M+Na]+ 353.09957 184.4
[M-H]- 329.10307 180.3
[M+NH4]+ 348.14417 187.2
[M+K]+ 369.07351 181.8
[M+H-H2O]+ 313.10761 167.5
[M+HCOO]- 375.10855 190.1
[M+CH3COO]- 389.12420 208.0
[M+Na-2H]- 351.08502 175.9
[M]+ 330.10980 177.5
[M]- 330.11090 177.5
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