CID 2927366

N-[(5-chloro-8-hydroxy-7-quinolinyl)(2-furyl)methyl]-2-methylpropanamide

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
CC(C)C(=O)NC(C1=CC=CO1)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C18H17ClN2O3/c1-10(2)18(23)21-15(14-6-4-8-24-14)12-9-13(19)11-5-3-7-20-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,21,23)
InChIKey
WVFMBPBMXPRWHY-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

344.09277 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.100046 179.7
[M+Na]+ 367.081988 188.2
[M-H]- 343.085494 186.1
[M+NH4]+ 362.126593 193.1
[M+K]+ 383.055928 183.9
[M+H-H2O]+ 327.090030 172.4
[M+HCOO]- 389.090971 195.1
[M+CH3COO]- 403.106621 211.1
[M+Na-2H]- 365.067436 181.6
[M]+ 344.09222142 185.0
[M]- 344.09331858 185.0
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