CID 495320

Nsc649981

Structural Information

Molecular Formula
C19H22O5
SMILES
CC1C(OC2=C(C(=C(C=C12)O)OC)C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H22O5/c1-10-13-9-14(20)19(23-5)11(2)18(13)24-17(10)12-6-7-15(21-3)16(8-12)22-4/h6-10,17,20H,1-5H3
InChIKey
MVMPXFIUJRKPNQ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 176.2
[M+Na]+ 353.13595 186.3
[M-H]- 329.13945 184.6
[M+NH4]+ 348.18055 192.1
[M+K]+ 369.10989 184.5
[M+H-H2O]+ 313.14399 169.8
[M+HCOO]- 375.14493 196.4
[M+CH3COO]- 389.16058 211.4
[M+Na-2H]- 351.12140 176.9
[M]+ 330.14618 184.0
[M]- 330.14728 184.0
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.