CID 724133

304676-35-5

Structural Information

Molecular Formula
C18H19NO2
SMILES
CC1=CC=CC=C1OCC(=O)N2CCCC3=CC=CC=C32
InChI
InChI=1S/C18H19NO2/c1-14-7-2-5-11-17(14)21-13-18(20)19-12-6-9-15-8-3-4-10-16(15)19/h2-5,7-8,10-11H,6,9,12-13H2,1H3
InChIKey
CJVWJHDVLKCEQQ-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

20
Patents

281.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 166.4
[M+Na]+ 304.13079 181.0
[M+NH4]+ 299.17539 175.3
[M+K]+ 320.10473 172.5
[M-H]- 280.13429 171.1
[M+Na-2H]- 302.11624 174.5
[M]+ 281.14102 169.9
[M]- 281.14212 169.9
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