CID 2386892

2-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=N3
InChI
InChI=1S/C15H12N2O2/c18-14-9-11-5-1-2-7-13(11)15(19)17(14)10-12-6-3-4-8-16-12/h1-8H,9-10H2
InChIKey
NODLVRDDVBGXOY-UHFFFAOYSA-N
Compound name
2-(pyridin-2-ylmethyl)-4H-isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

252.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 156.2
[M+Na]+ 275.07909 164.9
[M-H]- 251.08259 161.0
[M+NH4]+ 270.12369 171.3
[M+K]+ 291.05303 159.9
[M+H-H2O]+ 235.08713 146.7
[M+HCOO]- 297.08807 175.2
[M+CH3COO]- 311.10372 167.9
[M+Na-2H]- 273.06454 162.7
[M]+ 252.08932 155.0
[M]- 252.09042 155.0
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.