CID 2921493

N-[(5-chloro-8-hydroxyquinolin-7-yl)(phenyl)methyl]acetamide

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
CC(=O)NC(C1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2O)Cl
InChI
InChI=1S/C18H15ClN2O2/c1-11(22)21-16(12-6-3-2-4-7-12)14-10-15(19)13-8-5-9-20-17(13)18(14)23/h2-10,16,23H,1H3,(H,21,22)
InChIKey
OGOXQDKTBGYXDB-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

8
Patents

326.0822 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 173.3
[M+Na]+ 349.07142 181.4
[M-H]- 325.07492 178.3
[M+NH4]+ 344.11602 186.8
[M+K]+ 365.04536 175.0
[M+H-H2O]+ 309.07946 165.4
[M+HCOO]- 371.08040 188.3
[M+CH3COO]- 385.09605 183.7
[M+Na-2H]- 347.05687 177.6
[M]+ 326.08165 174.9
[M]- 326.08275 174.9
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