CID 9578706

Brn 1471224

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]+ 251.11789 157.1
[M+Na]+ 273.09983 172.3
[M+NH4]+ 268.14443 166.6
[M+K]+ 289.07377 163.0
[M-H]- 249.10333 163.1
[M+Na-2H]- 271.08528 166.8
[M]+ 250.11006 161.0
[M]- 250.11116 161.0
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.