CID 3104609

N-[2-(quinolin-8-yloxy)ethyl]acetamide

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC(=O)NCCOC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C13H14N2O2/c1-10(16)14-8-9-17-12-6-2-4-11-5-3-7-15-13(11)12/h2-7H,8-9H2,1H3,(H,14,16)
InChIKey
KDINDFARRDVWAD-UHFFFAOYSA-N
Compound name
N-(2-quinolin-8-yloxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

230.10553 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 150.2
[M+Na]+ 253.094748 157.3
[M-H]- 229.098254 153.2
[M+NH4]+ 248.139353 167.5
[M+K]+ 269.068688 154.4
[M+H-H2O]+ 213.102790 142.5
[M+HCOO]- 275.103731 172.7
[M+CH3COO]- 289.119381 192.8
[M+Na-2H]- 251.080196 158.2
[M]+ 230.10498142 151.9
[M]- 230.10607858 151.9
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