CID 12587283

Tetra-o-methyl-maesopsin

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=CC=C(C=C1)CC2(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-21-13-7-5-12(6-8-13)11-19(24-4)18(20)17-15(23-3)9-14(22-2)10-16(17)25-19/h5-10H,11H2,1-4H3
InChIKey
OCWHNYAFFRSGLZ-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 176.3
[M+Na]+ 367.11520 186.3
[M-H]- 343.11870 185.6
[M+NH4]+ 362.15980 193.7
[M+K]+ 383.08914 185.4
[M+H-H2O]+ 327.12324 169.6
[M+HCOO]- 389.12418 198.5
[M+CH3COO]- 403.13983 212.1
[M+Na-2H]- 365.10065 180.4
[M]+ 344.12543 186.2
[M]- 344.12653 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.