CID 503268

Desmosflavanone ii

Structural Information

Molecular Formula
C18H16O5
SMILES
CC1=C(C(=C2C(=C1OC)C(=O)C[C@H](O2)C3=CC=CC=C3)C=O)O
InChI
InChI=1S/C18H16O5/c1-10-16(21)12(9-19)18-15(17(10)22-2)13(20)8-14(23-18)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3/t14-/m0/s1
InChIKey
LSODPLCBFFZIHL-AWEZNQCLSA-N
Compound name
(2S)-7-hydroxy-5-methoxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

312.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 169.3
[M+Na]+ 335.08898 178.7
[M-H]- 311.09248 177.0
[M+NH4]+ 330.13358 183.4
[M+K]+ 351.06292 176.1
[M+H-H2O]+ 295.09702 161.5
[M+HCOO]- 357.09796 188.0
[M+CH3COO]- 371.11361 206.5
[M+Na-2H]- 333.07443 172.7
[M]+ 312.09921 172.6
[M]- 312.10031 172.6
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