CID 408289

3-(dimethylamino)-1-(naphthalen-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C15H17NO
SMILES
CN(C)CCC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H17NO/c1-16(2)11-10-15(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3
InChIKey
CXDXSNWZXJVDMC-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

200
Patents

227.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 151.8
[M+Na]+ 250.12023 158.2
[M-H]- 226.12373 157.4
[M+NH4]+ 245.16483 171.3
[M+K]+ 266.09417 155.8
[M+H-H2O]+ 210.12827 144.7
[M+HCOO]- 272.12921 175.2
[M+CH3COO]- 286.14486 198.3
[M+Na-2H]- 248.10568 157.7
[M]+ 227.13046 153.6
[M]- 227.13156 153.6
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