CID 10355702

679392-23-5

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-8-4-5-9-6-7-10(14)15-11(9)16/h6-7H,4-5,8H2,1-3H3

InChIKey

ORLCGJPXYZNJLV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 268.09787 Da
Monoisotopic Mass: 3.3
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]+	269.10515	159.6
[M+Na]+	291.08709	172.5
[M+NH4]+	286.13169	167.3
[M+K]+	307.06103	166.4
[M-H]-	267.09059	160.1
[M+Na-2H]-	289.07254	164.4
[M]+	268.09732	161.8
[M]-	268.09842	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe