CID 28576

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

Structural Information

Molecular Formula
C15H13NO
SMILES
C1C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChIKey
IAOCKKZVKNCZPK-UHFFFAOYSA-N
Compound name
1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

15
Patents

223.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 148.8
[M+Na]+ 246.08894 156.1
[M-H]- 222.09244 153.4
[M+NH4]+ 241.13354 165.7
[M+K]+ 262.06288 150.4
[M+H-H2O]+ 206.09698 140.8
[M+HCOO]- 268.09792 167.4
[M+CH3COO]- 282.11357 160.5
[M+Na-2H]- 244.07439 155.7
[M]+ 223.09917 144.2
[M]- 223.10027 144.2
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.