CID 3009245

2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-3,4-dihydro-2h-quinoline

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN1C(CCC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H21NO2/c1-20-16(10-8-15-4-2-3-5-17(15)20)9-6-14-7-11-18-19(12-14)22-13-21-18/h2-5,7,11-12,16H,6,8-10,13H2,1H3
InChIKey
QRYQKXWZOXSQAJ-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

20
Patents

295.15723 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 169.5
[M+Na]+ 318.14645 176.5
[M-H]- 294.14995 177.2
[M+NH4]+ 313.19105 184.5
[M+K]+ 334.12039 173.6
[M+H-H2O]+ 278.15449 161.2
[M+HCOO]- 340.15543 185.3
[M+CH3COO]- 354.17108 180.6
[M+Na-2H]- 316.13190 173.6
[M]+ 295.15668 169.8
[M]- 295.15778 169.8
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