CID 978496

2-[4-(4-methylphenyl)phenoxy]-1-(1,2,3,4-tetrahydroquinolyl)ethan-1-one

Structural Information

Molecular Formula
C24H23NO2
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)N3CCCC4=CC=CC=C43
InChI
InChI=1S/C24H23NO2/c1-18-8-10-19(11-9-18)20-12-14-22(15-13-20)27-17-24(26)25-16-4-6-21-5-2-3-7-23(21)25/h2-3,5,7-15H,4,6,16-17H2,1H3
InChIKey
JXJGABONSPDNMM-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.17288 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 188.1
[M+Na]+ 380.16210 193.3
[M-H]- 356.16560 196.2
[M+NH4]+ 375.20670 199.4
[M+K]+ 396.13604 187.2
[M+H-H2O]+ 340.17014 176.8
[M+HCOO]- 402.17108 205.1
[M+CH3COO]- 416.18673 197.1
[M+Na-2H]- 378.14755 190.7
[M]+ 357.17233 186.4
[M]- 357.17343 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.