CID 6476743

1-(3'-methoxyphenyl)-3-(3-methoxy-2-napthyl)-2-propenone

Structural Information

Molecular Formula
C21H18O3
SMILES
COC1=CC=CC(=C1)C(=O)/C=C/C2=CC3=CC=CC=C3C=C2OC
InChI
InChI=1S/C21H18O3/c1-23-19-9-5-8-17(13-19)20(22)11-10-18-12-15-6-3-4-7-16(15)14-21(18)24-2/h3-14H,1-2H3/b11-10+
InChIKey
IJNHGXCKBISJOJ-ZHACJKMWSA-N
Compound name
(E)-3-(3-methoxynaphthalen-2-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.12558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13286 175.1
[M+Na]+ 341.11480 182.8
[M-H]- 317.11830 182.6
[M+NH4]+ 336.15940 190.3
[M+K]+ 357.08874 177.9
[M+H-H2O]+ 301.12284 166.4
[M+HCOO]- 363.12378 196.7
[M+CH3COO]- 377.13943 208.8
[M+Na-2H]- 339.10025 179.1
[M]+ 318.12503 178.5
[M]- 318.12613 178.5
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

No patent data available for this compound.