CID 6447456

(e)-6-(3,7-dimethyl-2,6-octadienyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Structural Information

Molecular Formula
C18H26N2
SMILES
CC(=CCC/C(=C/CN1CCC2=C(C1)C=CC=N2)/C)C
InChI
InChI=1S/C18H26N2/c1-15(2)6-4-7-16(3)9-12-20-13-10-18-17(14-20)8-5-11-19-18/h5-6,8-9,11H,4,7,10,12-14H2,1-3H3/b16-9+
InChIKey
BCUQPSHDSOTGQO-CXUHLZMHSA-N
Compound name
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.2096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21688 169.7
[M+Na]+ 293.19882 181.4
[M+NH4]+ 288.24342 177.3
[M+K]+ 309.17276 173.1
[M-H]- 269.20232 171.1
[M+Na-2H]- 291.18427 173.8
[M]+ 270.20905 171.6
[M]- 270.21015 171.6
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.