CID 369609

Nsc641519

Structural Information

Molecular Formula
C21H24O5
SMILES
COC1=C(C=C(C=C1)C2CC(C3=C(O2)C(=CC(=C3)CC=C)OC)O)OC
InChI
InChI=1S/C21H24O5/c1-5-6-13-9-15-16(22)12-18(26-21(15)20(10-13)25-4)14-7-8-17(23-2)19(11-14)24-3/h5,7-11,16,18,22H,1,6,12H2,2-4H3
InChIKey
GJEVPMOJBYGEEQ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-8-methoxy-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

356.16238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 184.8
[M+Na]+ 379.15160 192.5
[M-H]- 355.15510 191.8
[M+NH4]+ 374.19620 197.1
[M+K]+ 395.12554 189.8
[M+H-H2O]+ 339.15964 176.3
[M+HCOO]- 401.16058 202.2
[M+CH3COO]- 415.17623 216.0
[M+Na-2H]- 377.13705 186.5
[M]+ 356.16183 189.8
[M]- 356.16293 189.8
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.