CID 6479058

Chembl1164351

Structural Information

Molecular Formula
C18H14O2
SMILES
CC1=CC=C(C=C1)/C=C/C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H14O2/c1-13-6-8-14(9-7-13)10-11-15-12-17(19)16-4-2-3-5-18(16)20-15/h2-12H,1H3/b11-10+
InChIKey
CLRQNOPETUIJPW-ZHACJKMWSA-N
Compound name
2-[(E)-2-(4-methylphenyl)ethenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.09937 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10665 158.3
[M+Na]+ 285.08859 168.2
[M-H]- 261.09209 167.1
[M+NH4]+ 280.13319 174.9
[M+K]+ 301.06253 163.8
[M+H-H2O]+ 245.09663 150.5
[M+HCOO]- 307.09757 181.0
[M+CH3COO]- 321.11322 171.6
[M+Na-2H]- 283.07404 165.9
[M]+ 262.09882 160.6
[M]- 262.09992 160.6
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.