CID 442396

(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C17H16O5
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)C)O
InChI
InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3/t13-/m0/s1
InChIKey
DYHOLQACRGJEHX-ZDUSSCGKSA-N
Compound name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

58
References

123
Patents

300.09976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 167.2
[M+Na]+ 323.08898 176.8
[M-H]- 299.09248 172.8
[M+NH4]+ 318.13358 180.8
[M+K]+ 339.06292 173.5
[M+H-H2O]+ 283.09702 160.4
[M+HCOO]- 345.09796 183.0
[M+CH3COO]- 359.11361 201.2
[M+Na-2H]- 321.07443 169.6
[M]+ 300.09921 167.8
[M]- 300.10031 167.8
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