CID 9578707

3(2h)-isoquinolinone, 1,4-dihydro-2-((3,4-dichlorobenzylidene)amino)-

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
C1C2=CC=CC=C2CN(C1=O)/N=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O/c17-14-6-5-11(7-15(14)18)9-19-20-10-13-4-2-1-3-12(13)8-16(20)21/h1-7,9H,8,10H2/b19-9+
InChIKey
LLNAAWCNVJTRSJ-DJKKODMXSA-N
Compound name
2-[(E)-(3,4-dichlorophenyl)methylideneamino]-1,4-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.03265 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.039926 170.4
[M+Na]+ 341.021868 180.4
[M-H]- 317.025374 176.8
[M+NH4]+ 336.066473 186.3
[M+K]+ 356.995808 173.0
[M+H-H2O]+ 301.029910 162.4
[M+HCOO]- 363.030851 182.8
[M+CH3COO]- 377.046501 181.6
[M+Na-2H]- 339.007316 174.9
[M]+ 318.03210142 172.6
[M]- 318.03319858 172.6
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.