CID 6481719

Chembl508286

Structural Information

Molecular Formula
C17H14O3
SMILES
COC1=CC=CC=C1/C=C/2\COC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O3/c1-19-15-8-4-2-6-12(15)10-13-11-20-16-9-5-3-7-14(16)17(13)18/h2-10H,11H2,1H3/b13-10+
InChIKey
XRZKQIKCBJVGTF-JLHYYAGUSA-N
Compound name
(3E)-3-[(2-methoxyphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 158.6
[M+Na]+ 289.08352 166.7
[M-H]- 265.08702 166.8
[M+NH4]+ 284.12812 174.7
[M+K]+ 305.05746 163.4
[M+H-H2O]+ 249.09156 150.7
[M+HCOO]- 311.09250 179.0
[M+CH3COO]- 325.10815 196.9
[M+Na-2H]- 287.06897 164.8
[M]+ 266.09375 159.1
[M]- 266.09485 159.1
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

No patent data available for this compound.