CID 11727151

2854-14-0

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
CC(=O)NC1=C(C2=C(C=CC(=C2)Cl)N(C1=O)C)C3=CC=CC=C3
InChI
InChI=1S/C18H15ClN2O2/c1-11(22)20-17-16(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)21(2)18(17)23/h3-10H,1-2H3,(H,20,22)
InChIKey
YKJZOCCSOQGQLF-UHFFFAOYSA-N
Compound name
N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0822 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 173.8
[M+Na]+ 349.07142 184.8
[M-H]- 325.07492 180.9
[M+NH4]+ 344.11602 188.7
[M+K]+ 365.04536 178.1
[M+H-H2O]+ 309.07946 165.7
[M+HCOO]- 371.08040 191.4
[M+CH3COO]- 385.09605 211.6
[M+Na-2H]- 347.05687 178.1
[M]+ 326.08165 177.9
[M]- 326.08275 177.9
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.