CID 4277185

Apuleitrin

Structural Information

Molecular Formula
C19H18O9
SMILES
COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC
InChI
InChI=1S/C19H18O9/c1-24-11-7-10-13(15(22)14(11)21)16(23)19(27-4)17(28-10)8-5-9(20)18(26-3)12(6-8)25-2/h5-7,20-22H,1-4H3
InChIKey
DTODSGVQMWBBNE-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0951 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10238 185.4
[M+Na]+ 413.08432 196.3
[M-H]- 389.08782 191.9
[M+NH4]+ 408.12892 195.3
[M+K]+ 429.05826 196.1
[M+H-H2O]+ 373.09236 176.9
[M+HCOO]- 435.09330 203.6
[M+CH3COO]- 449.10895 219.0
[M+Na-2H]- 411.06977 187.7
[M]+ 390.09455 196.0
[M]- 390.09565 196.0
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.