CID 44426

3,4-dihydro-7-ethyl-2-(morpholinomethyl)-1(2h)-naphthalenone hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCC1=CC2=C(CCC(C2=O)CN3CCOCC3)C=C1
InChI
InChI=1S/C17H23NO2/c1-2-13-3-4-14-5-6-15(17(19)16(14)11-13)12-18-7-9-20-10-8-18/h3-4,11,15H,2,5-10,12H2,1H3
InChIKey
YLQAFKJDMRHXNL-UHFFFAOYSA-N
Compound name
7-ethyl-2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.1
[M+Na]+ 296.16210 179.2
[M+NH4]+ 291.20670 175.0
[M+K]+ 312.13604 171.3
[M-H]- 272.16560 171.8
[M+Na-2H]- 294.14755 171.3
[M]+ 273.17233 169.6
[M]- 273.17343 169.6
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.