CID 298906

74428-50-5

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=CC=CC(=C1C2=C(C=CC=C2OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C18H18O6/c1-21-13-9-5-7-11(17(19)23-3)15(13)16-12(18(20)24-4)8-6-10-14(16)22-2/h5-10H,1-4H3
InChIKey
AWZIUZBNCBHQTI-UHFFFAOYSA-N
Compound name
methyl 3-methoxy-2-(2-methoxy-6-methoxycarbonylphenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.11035 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 172.9
[M+Na]+ 353.09957 180.9
[M-H]- 329.10307 180.4
[M+NH4]+ 348.14417 187.0
[M+K]+ 369.07351 180.1
[M+H-H2O]+ 313.10761 164.8
[M+HCOO]- 375.10855 195.6
[M+CH3COO]- 389.12420 210.0
[M+Na-2H]- 351.08502 174.0
[M]+ 330.10980 180.9
[M]- 330.11090 180.9
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

patents stripe