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

1
Patents

232.19395 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.201226 158.0
[M+Na]+ 255.183168 163.1
[M-H]- 231.186674 158.1
[M+NH4]+ 250.227773 174.2
[M+K]+ 271.157108 159.0
[M+H-H2O]+ 215.191210 149.2
[M+HCOO]- 277.192151 174.8
[M+CH3COO]- 291.207801 194.0
[M+Na-2H]- 253.168616 163.4
[M]+ 232.19340142 157.2
[M]- 232.19449858 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