CID 89509241

1823257-74-4

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NC=C2)Cl

InChI

InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-7-5-9-4-6-15-11(14)10(9)8-16/h4,6H,5,7-8H2,1-3H3

InChIKey

IZVGEIOBZCVZMZ-UHFFFAOYSA-N

Compound name

tert-butyl 8-chloro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 268.09787 Da
Monoisotopic Mass: 2.5
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]+	269.105146	160.7
[M+Na]+	291.087088	168.9
[M-H]-	267.090594	162.2
[M+NH4]+	286.131693	176.8
[M+K]+	307.061028	165.1
[M+H-H2O]+	251.095130	153.9
[M+HCOO]-	313.096071	171.7
[M+CH3COO]-	327.111721	195.3
[M+Na-2H]-	289.072536	165.8
[M]+	268.09732142	162.6
[M]-	268.09841858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe