CID 367977

Nsc638187

Structural Information

Molecular Formula
C23H18O3
SMILES
COC1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H18O3/c1-26-20-14-12-17(13-15-20)16-21(22(24)18-8-4-2-5-9-18)23(25)19-10-6-3-7-11-19/h2-16H,1H3
InChIKey
GFYGTFXMFBVZNV-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methylidene]-1,3-diphenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

342.12558 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13286 182.3
[M+Na]+ 365.11480 186.8
[M-H]- 341.11830 191.1
[M+NH4]+ 360.15940 194.1
[M+K]+ 381.08874 181.9
[M+H-H2O]+ 325.12284 172.5
[M+HCOO]- 387.12378 202.9
[M+CH3COO]- 401.13943 211.7
[M+Na-2H]- 363.10025 183.6
[M]+ 342.12503 182.1
[M]- 342.12613 182.1
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.