CID 129907894

(2s,3s)-2-(3,4-dimethoxyphenyl)-3-methyl-5-[(e)-prop-1-enyl]-2,3-dihydrobenzofuran

Structural Information

Molecular Formula
C20H22O3
SMILES
C/C=C/C1=CC2=C(C=C1)O[C@@H]([C@H]2C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H22O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-13,20H,1-4H3/b6-5+/t13-,20-/m0/s1
InChIKey
QCCSRBZJZVNSCH-YRBHPXEJSA-N
Compound name
(2S,3S)-2-(3,4-dimethoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1569 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16418 174.1
[M+Na]+ 333.14612 183.4
[M-H]- 309.14962 183.0
[M+NH4]+ 328.19072 191.3
[M+K]+ 349.12006 179.9
[M+H-H2O]+ 293.15416 167.3
[M+HCOO]- 355.15510 195.5
[M+CH3COO]- 369.17075 208.4
[M+Na-2H]- 331.13157 175.7
[M]+ 310.15635 179.5
[M]- 310.15745 179.5
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.