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

12
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

literature stripe

Patent stripe

patents stripe