CID 65143114

Tert-butyl n-(5-chloroquinolin-8-yl)carbamate

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂

SMILES

CC(C)(C)OC(=O)NC1=C2C(=C(C=C1)Cl)C=CC=N2

InChI

InChI=1S/C14H15ClN2O2/c1-14(2,3)19-13(18)17-11-7-6-10(15)9-5-4-8-16-12(9)11/h4-8H,1-3H3,(H,17,18)

InChIKey

KBBPTCAXWUKYEK-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-chloroquinolin-8-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.0822 Da
Monoisotopic Mass: 3.8
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]+	279.089476	162.4
[M+Na]+	301.071418	171.4
[M-H]-	277.074924	165.8
[M+NH4]+	296.116023	179.3
[M+K]+	317.045358	167.0
[M+H-H2O]+	261.079460	156.1
[M+HCOO]-	323.080401	178.4
[M+CH3COO]-	337.096051	199.8
[M+Na-2H]-	299.056866	169.3
[M]+	278.08165142	166.4
[M]-	278.08274858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.