CID 3058705

6-decyl-5,6,7,8-tetrahydro-1,6-naphthyridine

Structural Information

Molecular Formula
C18H30N2
SMILES
CCCCCCCCCCN1CCC2=C(C1)C=CC=N2
InChI
InChI=1S/C18H30N2/c1-2-3-4-5-6-7-8-9-14-20-15-12-18-17(16-20)11-10-13-19-18/h10-11,13H,2-9,12,14-16H2,1H3
InChIKey
RCHWYSIBLPXKSN-UHFFFAOYSA-N
Compound name
6-decyl-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2409 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.24818 171.5
[M+Na]+ 297.23012 175.3
[M-H]- 273.23362 171.0
[M+NH4]+ 292.27472 186.0
[M+K]+ 313.20406 170.4
[M+H-H2O]+ 257.23816 162.1
[M+HCOO]- 319.23910 187.3
[M+CH3COO]- 333.25475 203.0
[M+Na-2H]- 295.21557 175.2
[M]+ 274.24035 171.7
[M]- 274.24145 171.7
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.