CID 276138

Dimnf

Structural Information

Molecular Formula
C21H16O4
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3)OC
InChI
InChI=1S/C21H16O4/c1-23-18-10-8-14(11-20(18)24-2)19-12-17(22)16-9-7-13-5-3-4-6-15(13)21(16)25-19/h3-12H,1-2H3
InChIKey
QDZQDIUUJDAORK-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)benzo[h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

32
Patents

332.10486 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11214 174.8
[M+Na]+ 355.09408 194.7
[M+NH4]+ 350.13868 184.3
[M+K]+ 371.06802 185.0
[M-H]- 331.09758 182.9
[M+Na-2H]- 353.07953 184.9
[M]+ 332.10431 180.5
[M]- 332.10541 180.5
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