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]+ 319.03993 170.4
[M+Na]+ 341.02187 180.4
[M-H]- 317.02537 176.8
[M+NH4]+ 336.06647 186.3
[M+K]+ 356.99581 173.0
[M+H-H2O]+ 301.02991 162.4
[M+HCOO]- 363.03085 182.8
[M+CH3COO]- 377.04650 181.6
[M+Na-2H]- 339.00732 174.9
[M]+ 318.03210 172.6
[M]- 318.03320 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.