CID 44258537

Tabularin

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC
InChI
InChI=1S/C19H18O8/c1-23-12-8-15(25-3)14(24-2)5-9(12)13-6-10(20)17-16(27-13)7-11(21)19(26-4)18(17)22/h5-8,21-22H,1-4H3
InChIKey
WGBYXADIGKYTAA-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-methoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

374.10016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 182.4
[M+Na]+ 397.08938 193.4
[M-H]- 373.09288 190.0
[M+NH4]+ 392.13398 193.7
[M+K]+ 413.06332 192.9
[M+H-H2O]+ 357.09742 173.9
[M+HCOO]- 419.09836 202.1
[M+CH3COO]- 433.11401 217.1
[M+Na-2H]- 395.07483 185.7
[M]+ 374.09961 193.0
[M]- 374.10071 193.0
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

patents stripe