CID 11073

Naphthocaine hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₂N₂O₂

SMILES

CCN(CC)CCOC(=O)C1=CC=C(C2=CC=CC=C21)N

InChI

InChI=1S/C17H22N2O2/c1-3-19(4-2)11-12-21-17(20)15-9-10-16(18)14-8-6-5-7-13(14)15/h5-10H,3-4,11-12,18H2,1-2H3

InChIKey

ZSYWYFNJKDJHKS-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-aminonaphthalene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.16812 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.175396	168.9
[M+Na]+	309.157338	174.4
[M-H]-	285.160844	173.8
[M+NH4]+	304.201943	185.5
[M+K]+	325.131278	171.9
[M+H-H2O]+	269.165380	161.0
[M+HCOO]-	331.166321	192.1
[M+CH3COO]-	345.181971	211.3
[M+Na-2H]-	307.142786	172.3
[M]+	286.16757142	171.4
[M]-	286.16866858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe