CID 6449193

Brn 3624659

Structural Information

Molecular Formula
C23H18O3
SMILES
COC1=CC=CC=C1/C=C/2\COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H18O3/c1-25-21-10-6-5-9-18(21)13-19-15-26-22-12-11-17(14-20(22)23(19)24)16-7-3-2-4-8-16/h2-14H,15H2,1H3/b19-13+
InChIKey
GCRQNHGEXPZOOM-CPNJWEJPSA-N
Compound name
(3E)-3-[(2-methoxyphenyl)methylidene]-6-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13286 181.8
[M+Na]+ 365.11480 189.3
[M-H]- 341.11830 192.7
[M+NH4]+ 360.15940 194.2
[M+K]+ 381.08874 184.4
[M+H-H2O]+ 325.12284 171.7
[M+HCOO]- 387.12378 201.1
[M+CH3COO]- 401.13943 192.6
[M+Na-2H]- 363.10025 186.0
[M]+ 342.12503 181.7
[M]- 342.12613 181.7
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.