CID 189152

Lawinal

Structural Information

Molecular Formula
C17H14O5
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=CC=C3)C=O)O
InChI
InChI=1S/C17H14O5/c1-9-15(20)11(8-18)17-14(16(9)21)12(19)7-13(22-17)10-5-3-2-4-6-10/h2-6,8,13,20-21H,7H2,1H3/t13-/m0/s1
InChIKey
ONESXBRHUWVWFD-ZDUSSCGKSA-N
Compound name
(2S)-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

298.08414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 165.2
[M+Na]+ 321.07336 174.7
[M-H]- 297.07686 171.8
[M+NH4]+ 316.11796 179.2
[M+K]+ 337.04730 171.4
[M+H-H2O]+ 281.08140 158.0
[M+HCOO]- 343.08234 182.7
[M+CH3COO]- 357.09799 201.3
[M+Na-2H]- 319.05881 168.7
[M]+ 298.08359 166.5
[M]- 298.08469 166.5
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

No patent data available for this compound.