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]+ 331.154006 176.2
[M+Na]+ 353.135948 186.3
[M-H]- 329.139454 184.6
[M+NH4]+ 348.180553 192.1
[M+K]+ 369.109888 184.5
[M+H-H2O]+ 313.143990 169.8
[M+HCOO]- 375.144931 196.4
[M+CH3COO]- 389.160581 211.4
[M+Na-2H]- 351.121396 176.9
[M]+ 330.14618142 184.0
[M]- 330.14727858 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.