CID 9818362

Sdz-lap-977

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=CC(=C(C=C1)OC)CCC2=CC(=C(C=C2)O)C(=O)OC
InChI
InChI=1S/C18H20O5/c1-21-14-7-9-17(22-2)13(11-14)6-4-12-5-8-16(19)15(10-12)18(20)23-3/h5,7-11,19H,4,6H2,1-3H3
InChIKey
GZOFTOHENYHNMS-UHFFFAOYSA-N
Compound name
methyl 5-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

316.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 173.4
[M+Na]+ 339.12029 186.8
[M+NH4]+ 334.16489 179.7
[M+K]+ 355.09423 180.6
[M-H]- 315.12379 176.1
[M+Na-2H]- 337.10574 179.9
[M]+ 316.13052 176.0
[M]- 316.13162 176.0
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

patents stripe