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]+ 358.180156 188.1
[M+Na]+ 380.162098 193.3
[M-H]- 356.165604 196.2
[M+NH4]+ 375.206703 199.4
[M+K]+ 396.136038 187.2
[M+H-H2O]+ 340.170140 176.8
[M+HCOO]- 402.171081 205.1
[M+CH3COO]- 416.186731 197.1
[M+Na-2H]- 378.147546 190.7
[M]+ 357.17233142 186.4
[M]- 357.17342858 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.