CID 12460351

90358-82-0

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₂

SMILES

CN(C)CCCOC(=O)N1CCCCC2=C1C=CC=N2

InChI

InChI=1S/C15H23N3O2/c1-17(2)10-6-12-20-15(19)18-11-4-3-7-13-14(18)8-5-9-16-13/h5,8-9H,3-4,6-7,10-12H2,1-2H3

InChIKey

QVCYSQIPQSKRNV-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propyl 6,7,8,9-tetrahydropyrido[3,2-b]azepine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.17902 Da
Monoisotopic Mass: 1.8
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]+	278.186296	162.1
[M+Na]+	300.168238	165.5
[M-H]-	276.171744	165.5
[M+NH4]+	295.212843	175.9
[M+K]+	316.142178	168.4
[M+H-H2O]+	260.176280	153.3
[M+HCOO]-	322.177221	179.8
[M+CH3COO]-	336.192871	205.4
[M+Na-2H]-	298.153686	166.2
[M]+	277.17847142	160.4
[M]-	277.17956858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.