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 155.5
[M+Na]+ 273.09983 162.6
[M-H]- 249.10333 162.5
[M+NH4]+ 268.14443 172.3
[M+K]+ 289.07377 157.8
[M+H-H2O]+ 233.10787 146.2
[M+HCOO]- 295.10881 177.9
[M+CH3COO]- 309.12446 167.5
[M+Na-2H]- 271.08528 163.2
[M]+ 250.11006 153.4
[M]- 250.11116 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.