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 181.1
[M+Na]+ 340.19955 184.0
[M-H]- 316.20305 181.3
[M+NH4]+ 335.24415 191.1
[M+K]+ 356.17349 179.6
[M+H-H2O]+ 300.20759 171.1
[M+HCOO]- 362.20853 188.9
[M+CH3COO]- 376.22418 204.0
[M+Na-2H]- 338.18500 182.8
[M]+ 317.20978 174.3
[M]- 317.21088 174.3
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