CID 369616

Nsc641527

Structural Information

Molecular Formula
C23H26O6
SMILES
CC(=O)OC1CC(OC2=C1C=C(C=C2OC)CC=C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C23H26O6/c1-6-7-15-10-17-20(28-14(2)24)13-19(29-23(17)22(11-15)27-5)16-8-9-18(25-3)21(12-16)26-4/h6,8-12,19-20H,1,7,13H2,2-5H3
InChIKey
JHMHABZXTWTAND-UHFFFAOYSA-N
Compound name
[2-(3,4-dimethoxyphenyl)-8-methoxy-6-prop-2-enyl-3,4-dihydro-2H-chromen-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.17294 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18022 195.0
[M+Na]+ 421.16216 202.0
[M-H]- 397.16566 203.1
[M+NH4]+ 416.20676 206.0
[M+K]+ 437.13610 200.6
[M+H-H2O]+ 381.17020 185.8
[M+HCOO]- 443.17114 212.5
[M+CH3COO]- 457.18679 226.0
[M+Na-2H]- 419.14761 195.1
[M]+ 398.17239 202.5
[M]- 398.17349 202.5
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.