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]+ 296.13936 168.7
[M+Na]+ 318.12130 180.4
[M+NH4]+ 313.16590 175.8
[M+K]+ 334.09524 173.6
[M-H]- 294.12480 172.9
[M+Na-2H]- 316.10675 174.9
[M]+ 295.13153 171.2
[M]- 295.13263 171.2
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.