CID 130140958

1822862-83-8

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(C2=C1N=CC=C2)N
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-8-6-10(14)9-5-4-7-15-11(9)16/h4-5,7,10H,6,8,14H2,1-3H3
InChIKey
UWZQDSMJOIIVLK-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.154996 159.8
[M+Na]+ 272.136938 166.5
[M-H]- 248.140444 160.8
[M+NH4]+ 267.181543 175.2
[M+K]+ 288.110878 164.0
[M+H-H2O]+ 232.144980 152.3
[M+HCOO]- 294.145921 175.8
[M+CH3COO]- 308.161571 196.0
[M+Na-2H]- 270.122386 164.8
[M]+ 249.14717142 158.0
[M]- 249.14826858 158.0
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.