CID 20142718

1-benzyl-1,2,3,4-tetrahydroquinolin-4-one

Structural Information

Molecular Formula
C16H15NO
SMILES
C1CN(C2=CC=CC=C2C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c18-16-10-11-17(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-9H,10-12H2
InChIKey
OTFPSEQWUFGDSQ-UHFFFAOYSA-N
Compound name
1-benzyl-2,3-dihydroquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

237.11537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 153.2
[M+Na]+ 260.10459 160.4
[M-H]- 236.10809 158.9
[M+NH4]+ 255.14919 170.2
[M+K]+ 276.07853 155.4
[M+H-H2O]+ 220.11263 144.5
[M+HCOO]- 282.11357 172.9
[M+CH3COO]- 296.12922 165.0
[M+Na-2H]- 258.09004 159.9
[M]+ 237.11482 150.7
[M]- 237.11592 150.7
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