CID 42608128

Mosloflavanone

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=C(C(=C2C(=O)C[C@](OC2=C1)(C3=CC=CC=C3)O)O)OC
InChI
InChI=1S/C17H16O6/c1-21-13-8-12-14(15(19)16(13)22-2)11(18)9-17(20,23-12)10-6-4-3-5-7-10/h3-8,19-20H,9H2,1-2H3/t17-/m0/s1
InChIKey
GDGDGXJBOLVFBL-KRWDZBQOSA-N
Compound name
(2S)-2,5-dihydroxy-6,7-dimethoxy-2-phenyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.0947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 169.1
[M+Na]+ 339.08392 178.2
[M-H]- 315.08742 175.6
[M+NH4]+ 334.12852 184.1
[M+K]+ 355.05786 176.5
[M+H-H2O]+ 299.09196 161.8
[M+HCOO]- 361.09290 186.6
[M+CH3COO]- 375.10855 202.4
[M+Na-2H]- 337.06937 174.7
[M]+ 316.09415 172.5
[M]- 316.09525 172.5
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

patents stripe