CID 24693410

3-{[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy]methyl}benzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)OCC3=CC(=CC=C3)C(=N)N
InChI
InChI=1S/C17H17N3O2/c18-17(19)13-3-1-2-11(8-13)10-22-14-5-6-15-12(9-14)4-7-16(21)20-15/h1-3,5-6,8-9H,4,7,10H2,(H3,18,19)(H,20,21)
InChIKey
KLEWPQYMXLHOGL-UHFFFAOYSA-N
Compound name
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 167.0
[M+Na]+ 318.121298 172.3
[M-H]- 294.124804 170.9
[M+NH4]+ 313.165903 179.9
[M+K]+ 334.095238 166.6
[M+H-H2O]+ 278.129340 158.2
[M+HCOO]- 340.130281 185.6
[M+CH3COO]- 354.145931 206.2
[M+Na-2H]- 316.106746 171.1
[M]+ 295.13153142 161.4
[M]- 295.13262858 161.4
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.