CID 9578706

3(2h)-isoquinolinone, 1,4-dihydro-2-(benzylideneamino)-

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1C2=CC=CC=C2CN(C1=O)/N=C/C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c19-16-10-14-8-4-5-9-15(14)12-18(16)17-11-13-6-2-1-3-7-13/h1-9,11H,10,12H2/b17-11+
InChIKey
CSNVWFIPFSPZNQ-GZTJUZNOSA-N
Compound name
2-[(E)-benzylideneamino]-1,4-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 155.5
[M+Na]+ 273.099828 162.6
[M-H]- 249.103334 162.5
[M+NH4]+ 268.144433 172.3
[M+K]+ 289.073768 157.8
[M+H-H2O]+ 233.107870 146.2
[M+HCOO]- 295.108811 177.9
[M+CH3COO]- 309.124461 167.5
[M+Na-2H]- 271.085276 163.2
[M]+ 250.11006142 153.4
[M]- 250.11115858 153.4
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.