CID 593315

1-(1-naphthoyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C20H17NO
SMILES
C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H17NO/c22-20(18-12-5-9-15-7-1-3-11-17(15)18)21-14-6-10-16-8-2-4-13-19(16)21/h1-5,7-9,11-13H,6,10,14H2
InChIKey
HLLUMOOPZUATEZ-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-quinolin-1-yl(naphthalen-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

287.131 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13828 166.8
[M+Na]+ 310.12022 173.1
[M-H]- 286.12372 172.9
[M+NH4]+ 305.16482 182.2
[M+K]+ 326.09416 167.0
[M+H-H2O]+ 270.12826 157.0
[M+HCOO]- 332.12920 183.6
[M+CH3COO]- 346.14485 177.1
[M+Na-2H]- 308.10567 173.0
[M]+ 287.13045 163.4
[M]- 287.13155 163.4
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