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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08948 162.4
[M+Na]+ 301.07142 171.4
[M-H]- 277.07492 165.8
[M+NH4]+ 296.11602 179.3
[M+K]+ 317.04536 167.0
[M+H-H2O]+ 261.07946 156.1
[M+HCOO]- 323.08040 178.4
[M+CH3COO]- 337.09605 199.8
[M+Na-2H]- 299.05687 169.3
[M]+ 278.08165 166.4
[M]- 278.08275 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.