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 165.6
[M+Na]+ 296.16210 170.2
[M-H]- 272.16560 170.9
[M+NH4]+ 291.20670 179.8
[M+K]+ 312.13604 167.2
[M+H-H2O]+ 256.17014 156.6
[M+HCOO]- 318.17108 179.8
[M+CH3COO]- 332.18673 199.9
[M+Na-2H]- 294.14755 168.6
[M]+ 273.17233 161.5
[M]- 273.17343 161.5
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.