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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.6
[M+Na]+ 266.11515 162.0
[M-H]- 242.11865 161.2
[M+NH4]+ 261.15975 174.4
[M+K]+ 282.08909 160.2
[M+H-H2O]+ 226.12319 148.3
[M+HCOO]- 288.12413 179.2
[M+CH3COO]- 302.13978 199.0
[M+Na-2H]- 264.10060 161.5
[M]+ 243.12538 158.6
[M]- 243.12648 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe