CID 129902909

Methyl 4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoate

Structural Information

Molecular Formula
C18H18O7
SMILES
CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)O
InChI
InChI=1S/C18H18O7/c1-8-5-11(19)7-12(20)14(8)18(23)25-13-6-9(2)15(17(22)24-4)16(21)10(13)3/h5-7,19-21H,1-4H3
InChIKey
NVVOMYVYWQDIFF-UHFFFAOYSA-N
Compound name
methyl 4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10526 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 175.3
[M+Na]+ 369.09448 184.2
[M-H]- 345.09798 179.6
[M+NH4]+ 364.13908 187.3
[M+K]+ 385.06842 182.2
[M+H-H2O]+ 329.10252 168.3
[M+HCOO]- 391.10346 193.4
[M+CH3COO]- 405.11911 209.8
[M+Na-2H]- 367.07993 173.1
[M]+ 346.10471 180.4
[M]- 346.10581 180.4
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.