CID 394140

Nsc697367

Structural Information

Molecular Formula
C19H22O6
SMILES
COC1=C(C(=C(C=C1)OC)O)C2CCC3=CC(=C(C=C3O2)OC)OC
InChI
InChI=1S/C19H22O6/c1-21-12-7-8-14(22-2)19(20)18(12)13-6-5-11-9-16(23-3)17(24-4)10-15(11)25-13/h7-10,13,20H,5-6H2,1-4H3
InChIKey
UDNQCVRRBUTQJN-UHFFFAOYSA-N
Compound name
2-(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)-3,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 179.5
[M+Na]+ 369.13085 187.5
[M-H]- 345.13435 186.9
[M+NH4]+ 364.17545 192.2
[M+K]+ 385.10479 186.7
[M+H-H2O]+ 329.13889 171.0
[M+HCOO]- 391.13983 197.5
[M+CH3COO]- 405.15548 213.0
[M+Na-2H]- 367.11630 182.4
[M]+ 346.14108 185.9
[M]- 346.14218 185.9
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.