CID 43396

7-ethyl-2-piperidinomethyl-1-oxotetrahydronaphthalene hydrochloride

Structural Information

Molecular Formula
C18H25NO
SMILES
CCC1=CC2=C(CCC(C2=O)CN3CCCCC3)C=C1
InChI
InChI=1S/C18H25NO/c1-2-14-6-7-15-8-9-16(18(20)17(15)12-14)13-19-10-4-3-5-11-19/h6-7,12,16H,2-5,8-11,13H2,1H3
InChIKey
PLHZFZMEXKBMBU-UHFFFAOYSA-N
Compound name
7-ethyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 166.7
[M+Na]+ 294.182818 170.7
[M-H]- 270.186324 171.1
[M+NH4]+ 289.227423 182.3
[M+K]+ 310.156758 165.9
[M+H-H2O]+ 254.190860 157.7
[M+HCOO]- 316.191801 181.2
[M+CH3COO]- 330.207451 200.7
[M+Na-2H]- 292.168266 168.3
[M]+ 271.19305142 160.8
[M]- 271.19414858 160.8
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