CID 242061

6344-21-4

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=C(C=C(C=C1)C2CC(=O)C3=CC=CC=C3O2)OC
InChI
InChI=1S/C17H16O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-9,16H,10H2,1-2H3
InChIKey
JFIUXPGYJBPFAW-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

284.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 162.7
[M+Na]+ 307.09408 171.1
[M-H]- 283.09758 171.2
[M+NH4]+ 302.13868 178.3
[M+K]+ 323.06802 169.3
[M+H-H2O]+ 267.10212 154.6
[M+HCOO]- 329.10306 183.0
[M+CH3COO]- 343.11871 201.7
[M+Na-2H]- 305.07953 168.3
[M]+ 284.10431 165.9
[M]- 284.10541 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe