CID 3048890

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

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3N
InChI
InChI=1S/C15H14N2O/c16-13-8-4-3-7-12(13)15-11-6-2-1-5-10(11)9-14(18)17-15/h1-8,15H,9,16H2,(H,17,18)
InChIKey
MPVPDOAOJQJVCZ-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 153.1
[M+Na]+ 261.099828 160.5
[M-H]- 237.103334 157.5
[M+NH4]+ 256.144433 169.2
[M+K]+ 277.073768 154.5
[M+H-H2O]+ 221.107870 145.1
[M+HCOO]- 283.108811 172.1
[M+CH3COO]- 297.124461 164.3
[M+Na-2H]- 259.085276 158.8
[M]+ 238.11006142 147.4
[M]- 238.11115858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.