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 167.0
[M+Na]+ 318.12130 172.3
[M-H]- 294.12480 170.9
[M+NH4]+ 313.16590 179.9
[M+K]+ 334.09524 166.6
[M+H-H2O]+ 278.12934 158.2
[M+HCOO]- 340.13028 185.6
[M+CH3COO]- 354.14593 206.2
[M+Na-2H]- 316.10675 171.1
[M]+ 295.13153 161.4
[M]- 295.13263 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.