CID 42608103

Agecorynin e

Structural Information

Molecular Formula
C19H20O7
SMILES
COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O
InChI
InChI=1S/C19H20O7/c1-22-14-7-10(5-6-11(14)20)13-8-12(21)17-15(26-13)9-16(23-2)18(24-3)19(17)25-4/h5-7,9,13,20H,8H2,1-4H3/t13-/m0/s1
InChIKey
RTHZXRUUOCCNTA-ZDUSSCGKSA-N
Compound name
(2S)-2-(4-hydroxy-3-methoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1209 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 180.6
[M+Na]+ 383.11012 189.5
[M-H]- 359.11362 188.4
[M+NH4]+ 378.15472 192.8
[M+K]+ 399.08406 189.0
[M+H-H2O]+ 343.11816 172.1
[M+HCOO]- 405.11910 198.9
[M+CH3COO]- 419.13475 216.1
[M+Na-2H]- 381.09557 183.1
[M]+ 360.12035 188.3
[M]- 360.12145 188.3
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.