CID 42607782

Rengasin trimethyl ether

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3OC)OC)OC
InChI
InChI=1S/C19H18O6/c1-21-12-9-15(24-4)18-16(10-12)25-17(19(18)20)8-11-5-6-13(22-2)14(7-11)23-3/h5-10H,1-4H3
InChIKey
CVKDSGICIOMAGA-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

342.11035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 176.2
[M+Na]+ 365.09957 186.4
[M-H]- 341.10307 185.6
[M+NH4]+ 360.14417 191.8
[M+K]+ 381.07351 184.8
[M+H-H2O]+ 325.10761 169.3
[M+HCOO]- 387.10855 198.6
[M+CH3COO]- 401.12420 212.6
[M+Na-2H]- 363.08502 178.2
[M]+ 342.10980 185.3
[M]- 342.11090 185.3
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