CID 495317

Nsc649978

Structural Information

Molecular Formula
C18H20O5
SMILES
CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C18H20O5/c1-10-12-8-13(19)16(21-3)9-15(12)23-18(10)11-5-6-14(20-2)17(7-11)22-4/h5-10,18-19H,1-4H3
InChIKey
YELZOBATXOVYIK-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 171.6
[M+Na]+ 339.12029 181.4
[M-H]- 315.12379 179.8
[M+NH4]+ 334.16489 187.9
[M+K]+ 355.09423 179.6
[M+H-H2O]+ 299.12833 165.2
[M+HCOO]- 361.12927 192.2
[M+CH3COO]- 375.14492 207.1
[M+Na-2H]- 337.10574 173.5
[M]+ 316.13052 178.6
[M]- 316.13162 178.6
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.