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]+ 253.097146 156.2
[M+Na]+ 275.079088 164.9
[M-H]- 251.082594 161.0
[M+NH4]+ 270.123693 171.3
[M+K]+ 291.053028 159.9
[M+H-H2O]+ 235.087130 146.7
[M+HCOO]- 297.088071 175.2
[M+CH3COO]- 311.103721 167.9
[M+Na-2H]- 273.064536 162.7
[M]+ 252.08932142 155.0
[M]- 252.09041858 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.