CID 54594255

Tert-butyl n-(6-nitro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CC(C)(C)OC(=O)NC1CCNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H19N3O4/c1-14(2,3)21-13(18)16-12-6-7-15-11-5-4-9(17(19)20)8-10(11)12/h4-5,8,12,15H,6-7H2,1-3H3,(H,16,18)
InChIKey
YNQQCFKWUOAESB-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-nitro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.144816 164.1
[M+Na]+ 316.126758 168.0
[M-H]- 292.130264 165.4
[M+NH4]+ 311.171363 177.4
[M+K]+ 332.100698 161.5
[M+H-H2O]+ 276.134800 161.8
[M+HCOO]- 338.135741 181.4
[M+CH3COO]- 352.151391 195.3
[M+Na-2H]- 314.112206 171.6
[M]+ 293.13699142 159.9
[M]- 293.13808858 159.9
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.