CID 45225

Trimethylamine, dibenzofuran-2-ylcarbonyl-, hydrochloride

Structural Information

Molecular Formula
C16H15NO2
SMILES
CN(C)CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32
InChI
InChI=1S/C16H15NO2/c1-17(2)10-14(18)11-7-8-16-13(9-11)12-5-3-4-6-15(12)19-16/h3-9H,10H2,1-2H3
InChIKey
GAPGSKJNYPNQPR-UHFFFAOYSA-N
Compound name
1-dibenzofuran-2-yl-2-(dimethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11028 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 156.7
[M+Na]+ 276.09950 165.9
[M-H]- 252.10300 164.8
[M+NH4]+ 271.14410 176.8
[M+K]+ 292.07344 164.0
[M+H-H2O]+ 236.10754 150.1
[M+HCOO]- 298.10848 180.9
[M+CH3COO]- 312.12413 201.8
[M+Na-2H]- 274.08495 163.4
[M]+ 253.10973 162.2
[M]- 253.11083 162.2
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.