CID 363435

Nsc628346

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1CCN(CC1)C2=CC(=O)C(=O)C3=C2C=NC=C3

InChI

InChI=1S/C14H14N2O2/c17-13-8-12(16-6-2-1-3-7-16)11-9-15-5-4-10(11)14(13)18/h4-5,8-9H,1-3,6-7H2

InChIKey

BRLFCXUNHMGMQM-UHFFFAOYSA-N

Compound name

8-piperidin-1-ylisoquinoline-5,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.10553 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.11281	154.3
[M+Na]+	265.09475	161.4
[M-H]-	241.09825	158.5
[M+NH4]+	260.13935	169.7
[M+K]+	281.06869	157.1
[M+H-H2O]+	225.10279	145.0
[M+HCOO]-	287.10373	170.7
[M+CH3COO]-	301.11938	165.3
[M+Na-2H]-	263.08020	159.3
[M]+	242.10498	149.9
[M]-	242.10608	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.