CID 207536

1-propanone, 3-(dimethylamino)-1-(3-ethyl-4-methoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCC1=C(C=CC(=C1)C(=O)CCN(C)C)OC
InChI
InChI=1S/C14H21NO2/c1-5-11-10-12(6-7-14(11)17-4)13(16)8-9-15(2)3/h6-7,10H,5,8-9H2,1-4H3
InChIKey
LGIHBIFRNYAQEU-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.5
[M+Na]+ 258.14645 161.9
[M-H]- 234.14995 160.4
[M+NH4]+ 253.19105 174.0
[M+K]+ 274.12039 161.1
[M+H-H2O]+ 218.15449 148.6
[M+HCOO]- 280.15543 179.6
[M+CH3COO]- 294.17108 201.1
[M+Na-2H]- 256.13190 157.9
[M]+ 235.15668 160.0
[M]- 235.15778 160.0
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.