CID 3039356

1-propanone, 3-(dimethylamino)-1-(2-phenyl-3-benzofuranyl)-, hydrochloride

Structural Information

Molecular Formula
C19H19NO2
SMILES
CN(C)CCC(=O)C1=C(OC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO2/c1-20(2)13-12-16(21)18-15-10-6-7-11-17(15)22-19(18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKey
TUBUHQNABNEWSU-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(2-phenyl-1-benzofuran-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.14157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.148846 169.9
[M+Na]+ 316.130788 177.8
[M-H]- 292.134294 179.9
[M+NH4]+ 311.175393 187.1
[M+K]+ 332.104728 175.3
[M+H-H2O]+ 276.138830 162.1
[M+HCOO]- 338.139771 194.8
[M+CH3COO]- 352.155421 208.9
[M+Na-2H]- 314.116236 174.3
[M]+ 293.14102142 175.1
[M]- 293.14211858 175.1
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

patents stripe