CID 3058699

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

Structural Information

Molecular Formula
C15H24N2
SMILES
CCCCCCCN1CCC2=C(C1)C=CC=N2
InChI
InChI=1S/C15H24N2/c1-2-3-4-5-6-11-17-12-9-15-14(13-17)8-7-10-16-15/h7-8,10H,2-6,9,11-13H2,1H3
InChIKey
WAZNMOJEWFGFAH-UHFFFAOYSA-N
Compound name
6-heptyl-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.19395 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 158.0
[M+Na]+ 255.18317 163.1
[M-H]- 231.18667 158.1
[M+NH4]+ 250.22777 174.2
[M+K]+ 271.15711 159.0
[M+H-H2O]+ 215.19121 149.2
[M+HCOO]- 277.19215 174.8
[M+CH3COO]- 291.20780 194.0
[M+Na-2H]- 253.16862 163.4
[M]+ 232.19340 157.2
[M]- 232.19450 157.2
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

patents stripe