CID 44700

N-1-naphthyl ethyl urethane

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C15H17NO2/c1-3-16(15(17)18-4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3

InChIKey

WJJMHXJWKUMPKT-UHFFFAOYSA-N

Compound name

ethyl N-ethyl-N-naphthalen-1-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 243.12593 Da
Monoisotopic Mass: 3.7
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]+	244.13321	155.3
[M+Na]+	266.11515	168.2
[M+NH4]+	261.15975	164.1
[M+K]+	282.08909	160.9
[M-H]-	242.11865	158.9
[M+Na-2H]-	264.10060	162.5
[M]+	243.12538	158.2
[M]-	243.12648	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe