CID 17758659

219862-16-5

Structural Information

Molecular Formula

C₁₄H₁₉BrN₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC2=C(C=CC(=C2)Br)NC1

InChI

InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-11-7-9-6-10(15)4-5-12(9)16-8-11/h4-6,11,16H,7-8H2,1-3H3,(H,17,18)

InChIKey

UHDPFPMLNYYFAL-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-bromo-1,2,3,4-tetrahydroquinolin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 326.063 Da
Monoisotopic Mass: 3.4
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]+	327.070276	170.0
[M+Na]+	349.052218	178.3
[M-H]-	325.055724	173.7
[M+NH4]+	344.096823	186.7
[M+K]+	365.026158	166.5
[M+H-H2O]+	309.060260	169.0
[M+HCOO]-	371.061201	183.8
[M+CH3COO]-	385.076851	203.4
[M+Na-2H]-	347.037666	175.6
[M]+	326.06245142	185.7
[M]-	326.06354858	185.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe