CID 71758256

Tert-butyl n-(3-amino-5,6,7,8-tetrahydroquinolin-6-yl)carbamate

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC(C)(C)OC(=O)NC1CCC2=C(C1)C=C(C=N2)N
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-11-4-5-12-9(7-11)6-10(15)8-16-12/h6,8,11H,4-5,7,15H2,1-3H3,(H,17,18)
InChIKey
PGDUXCCWWVPKSE-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 161.3
[M+Na]+ 286.15262 170.5
[M+NH4]+ 281.19722 168.2
[M+K]+ 302.12656 165.8
[M-H]- 262.15612 162.8
[M+Na-2H]- 284.13807 165.1
[M]+ 263.16285 162.7
[M]- 263.16395 162.7
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.