CID 72206811

1253790-48-5

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(CNCC2)N=C1
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-10-6-9-4-5-14-8-11(9)15-7-10/h6-7,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKey
CJOQBPJEZPMOOY-UHFFFAOYSA-N
Compound name
tert-butyl N-(5,6,7,8-tetrahydro-1,7-naphthyridin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 157.9
[M+Na]+ 272.13694 167.7
[M+NH4]+ 267.18154 164.4
[M+K]+ 288.11088 163.0
[M-H]- 248.14044 157.9
[M+Na-2H]- 270.12239 161.9
[M]+ 249.14717 159.0
[M]- 249.14827 159.0
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.