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]+ 347.112536 175.3
[M+Na]+ 369.094478 184.2
[M-H]- 345.097984 179.6
[M+NH4]+ 364.139083 187.3
[M+K]+ 385.068418 182.2
[M+H-H2O]+ 329.102520 168.3
[M+HCOO]- 391.103461 193.4
[M+CH3COO]- 405.119111 209.8
[M+Na-2H]- 367.079926 173.1
[M]+ 346.10471142 180.4
[M]- 346.10580858 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.