CID 11197916

206989-63-1

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=C(CCCN3)C=C2
InChI
InChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21-11-8-13(9-12-21)15-7-6-14-5-4-10-19-16(14)20-15/h6-7,13H,4-5,8-12H2,1-3H3,(H,19,20)
InChIKey
ZVYMXHCYHZCTNG-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

317.21033 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 178.8
[M+Na]+ 340.19955 189.2
[M+NH4]+ 335.24415 185.2
[M+K]+ 356.17349 183.6
[M-H]- 316.20305 180.0
[M+Na-2H]- 338.18500 182.7
[M]+ 317.20978 180.4
[M]- 317.21088 180.4
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

patents stripe