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 159.3
[M+Na]+ 272.13694 164.5
[M-H]- 248.14044 159.0
[M+NH4]+ 267.18154 173.9
[M+K]+ 288.11088 161.5
[M+H-H2O]+ 232.14498 151.7
[M+HCOO]- 294.14592 174.4
[M+CH3COO]- 308.16157 192.9
[M+Na-2H]- 270.12239 165.6
[M]+ 249.14717 156.2
[M]- 249.14827 156.2
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.