CID 495315

Nsc649976

Structural Information

Molecular Formula
C17H18O4
SMILES
CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H18O4/c1-10-13-8-14(18)16(20-3)9-15(13)21-17(10)11-4-6-12(19-2)7-5-11/h4-10,17-18H,1-3H3
InChIKey
GNKJCSKSYGABME-UHFFFAOYSA-N
Compound name
6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 164.2
[M+Na]+ 309.10972 173.8
[M-H]- 285.11322 172.2
[M+NH4]+ 304.15432 181.5
[M+K]+ 325.08366 171.4
[M+H-H2O]+ 269.11776 157.9
[M+HCOO]- 331.11870 185.1
[M+CH3COO]- 345.13435 200.6
[M+Na-2H]- 307.09517 167.2
[M]+ 286.11995 169.0
[M]- 286.12105 169.0
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.