CID 495319

Nsc649980

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1C(OC2=CC(=C(C(=C12)C)O)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H20O4/c1-10-16-11(2)18(12-5-7-13(20-3)8-6-12)22-14(16)9-15(21-4)17(10)19/h5-9,11,18-19H,1-4H3
InChIKey
OZXLMLXPYBYMSL-UHFFFAOYSA-N
Compound name
6-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 168.8
[M+Na]+ 323.12539 178.8
[M-H]- 299.12889 177.0
[M+NH4]+ 318.16999 185.8
[M+K]+ 339.09933 176.3
[M+H-H2O]+ 283.13343 162.6
[M+HCOO]- 345.13437 189.3
[M+CH3COO]- 359.15002 204.9
[M+Na-2H]- 321.11084 170.6
[M]+ 300.13562 174.4
[M]- 300.13672 174.4
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.