CID 15698703

Syzalterin

Structural Information

Molecular Formula
C17H14O5
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C)O
InChI
InChI=1S/C17H14O5/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/h3-7,18,20-21H,1-2H3
InChIKey
VDYGMHWAKRDYQR-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

298.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 165.6
[M+Na]+ 321.07336 177.2
[M-H]- 297.07686 172.0
[M+NH4]+ 316.11796 179.5
[M+K]+ 337.04730 173.6
[M+H-H2O]+ 281.08140 158.6
[M+HCOO]- 343.08234 184.3
[M+CH3COO]- 357.09799 200.5
[M+Na-2H]- 319.05881 169.8
[M]+ 298.08359 169.1
[M]- 298.08469 169.1
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