CID 369608

Nsc641518

Structural Information

Molecular Formula
C19H20O3
SMILES
COC1=CC(=CC2=C1OC(CC2O)C3=CC=CC=C3)CC=C
InChI
InChI=1S/C19H20O3/c1-3-7-13-10-15-16(20)12-17(14-8-5-4-6-9-14)22-19(15)18(11-13)21-2/h3-6,8-11,16-17,20H,1,7,12H2,2H3
InChIKey
ORUKTCUIKZCRKO-UHFFFAOYSA-N
Compound name
8-methoxy-2-phenyl-6-prop-2-enyl-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 169.4
[M+Na]+ 319.13046 176.7
[M-H]- 295.13396 176.1
[M+NH4]+ 314.17506 183.9
[M+K]+ 335.10440 172.8
[M+H-H2O]+ 279.13850 161.5
[M+HCOO]- 341.13944 187.3
[M+CH3COO]- 355.15509 203.0
[M+Na-2H]- 317.11591 173.4
[M]+ 296.14069 170.0
[M]- 296.14179 170.0
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.