CID 15604510

Sar407899

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

C1CNCCC1OC2=CC3=C(C=C2)C(=O)NC=C3

InChI

InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)

InChIKey

IPEXHQGMTHOKQV-UHFFFAOYSA-N

Compound name

6-piperidin-4-yloxy-2H-isoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 197
Patents: 244.12119 Da
Monoisotopic Mass: 1.4
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]+	245.12847	154.6
[M+Na]+	267.11041	160.6
[M-H]-	243.11391	155.9
[M+NH4]+	262.15501	168.3
[M+K]+	283.08435	154.9
[M+H-H2O]+	227.11845	145.7
[M+HCOO]-	289.11939	169.2
[M+CH3COO]-	303.13504	164.3
[M+Na-2H]-	265.09586	160.4
[M]+	244.12064	148.3
[M]-	244.12174	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe