CID 9578707

Brn 1488316

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 168.6
[M+Na]+ 341.02187 185.8
[M+NH4]+ 336.06647 178.3
[M+K]+ 356.99581 175.2
[M-H]- 317.02537 174.4
[M+Na-2H]- 339.00732 177.7
[M]+ 318.03210 173.5
[M]- 318.03320 173.5
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.