CID 3083788

Sideroxylin

Structural Information

Molecular Formula
C18H16O5
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3
InChIKey
QJSQOGJCHBXLAH-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

20
Patents

312.09976 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 169.7
[M+Na]+ 335.08898 181.3
[M-H]- 311.09248 177.3
[M+NH4]+ 330.13358 183.8
[M+K]+ 351.06292 178.3
[M+H-H2O]+ 295.09702 162.2
[M+HCOO]- 357.09796 189.5
[M+CH3COO]- 371.11361 205.7
[M+Na-2H]- 333.07443 173.8
[M]+ 312.09921 175.3
[M]- 312.10031 175.3
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