CID 6476741

(2e)-3-(2,3-dimethoxyphenyl)-1-phenylprop-2-en-1-one

Structural Information

Molecular Formula
C17H16O3
SMILES
COC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16O3/c1-19-16-10-6-9-14(17(16)20-2)11-12-15(18)13-7-4-3-5-8-13/h3-12H,1-2H3/b12-11+
InChIKey
MGTKFVPIOWZSND-VAWYXSNFSA-N
Compound name
(E)-3-(2,3-dimethoxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

268.10995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 160.9
[M+Na]+ 291.09917 168.3
[M-H]- 267.10267 167.7
[M+NH4]+ 286.14377 177.2
[M+K]+ 307.07311 164.8
[M+H-H2O]+ 251.10721 153.1
[M+HCOO]- 313.10815 184.4
[M+CH3COO]- 327.12380 197.9
[M+Na-2H]- 289.08462 164.8
[M]+ 268.10940 164.0
[M]- 268.11050 164.0
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

patents stripe