CID 2871851

Mls001204199

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
CC(=O)NC(C1=CC=C(C=C1)Cl)C2=C(C3=C(C=CC=N3)C=C2)O
InChI
InChI=1S/C18H15ClN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22)
InChIKey
IXRHAWQJTWGCCU-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
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

No patent data available for this compound.