CID 91844468

Ethylnaphthidate

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCOC(=O)C(C1CCCCN1)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C19H23NO2/c1-2-22-19(21)18(17-9-5-6-12-20-17)16-11-10-14-7-3-4-8-15(14)13-16/h3-4,7-8,10-11,13,17-18,20H,2,5-6,9,12H2,1H3
InChIKey
OTQVTBPHZRARTL-UHFFFAOYSA-N
Compound name
ethyl 2-naphthalen-2-yl-2-piperidin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 171.7
[M+Na]+ 320.162098 174.4
[M-H]- 296.165604 174.7
[M+NH4]+ 315.206703 184.9
[M+K]+ 336.136038 169.7
[M+H-H2O]+ 280.170140 162.7
[M+HCOO]- 342.171081 185.5
[M+CH3COO]- 356.186731 201.3
[M+Na-2H]- 318.147546 173.7
[M]+ 297.17233142 166.7
[M]- 297.17342858 166.7
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.