CID 86578642

Methyl 5-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate

Structural Information

Molecular Formula
C18H18O8
SMILES
CC1=CC(=C(C=C1O)C(=O)OC)OC2=C(C=C(C=C2OC)O)C(=O)OC
InChI
InChI=1S/C18H18O8/c1-9-5-14(11(8-13(9)20)17(21)24-3)26-16-12(18(22)25-4)6-10(19)7-15(16)23-2/h5-8,19-20H,1-4H3
InChIKey
CBURMZAEAIJGPZ-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.10016 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10744 177.7
[M+Na]+ 385.08938 185.9
[M-H]- 361.09288 182.9
[M+NH4]+ 380.13398 189.2
[M+K]+ 401.06332 185.3
[M+H-H2O]+ 345.09742 169.9
[M+HCOO]- 407.09836 197.5
[M+CH3COO]- 421.11401 212.8
[M+Na-2H]- 383.07483 176.8
[M]+ 362.09961 185.6
[M]- 362.10071 185.6
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.