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]+ 294.14482 164.1
[M+Na]+ 316.12676 168.0
[M-H]- 292.13026 165.4
[M+NH4]+ 311.17136 177.4
[M+K]+ 332.10070 161.5
[M+H-H2O]+ 276.13480 161.8
[M+HCOO]- 338.13574 181.4
[M+CH3COO]- 352.15139 195.3
[M+Na-2H]- 314.11221 171.6
[M]+ 293.13699 159.9
[M]- 293.13809 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.