CID 15735795

Torosaflavone d

Structural Information

Molecular Formula
C19H14O8
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)/C=C/C(=O)O)O)O
InChI
InChI=1S/C19H14O8/c1-26-14-4-2-9(6-12(14)21)15-8-13(22)18-16(27-15)7-11(20)10(19(18)25)3-5-17(23)24/h2-8,20-21,25H,1H3,(H,23,24)/b5-3+
InChIKey
YGQFRAJVEBXHHA-HWKANZROSA-N
Compound name
(E)-3-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-6-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06888 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07616 180.8
[M+Na]+ 393.05810 190.3
[M-H]- 369.06160 185.4
[M+NH4]+ 388.10270 190.3
[M+K]+ 409.03204 187.5
[M+H-H2O]+ 353.06614 173.0
[M+HCOO]- 415.06708 196.9
[M+CH3COO]- 429.08273 210.9
[M+Na-2H]- 391.04355 182.8
[M]+ 370.06833 185.3
[M]- 370.06943 185.3
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

No patent data available for this compound.