CID 6447456

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

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 169.8
[M+Na]+ 293.19882 173.9
[M-H]- 269.20232 169.8
[M+NH4]+ 288.24342 184.4
[M+K]+ 309.17276 168.7
[M+H-H2O]+ 253.20686 161.0
[M+HCOO]- 315.20780 184.1
[M+CH3COO]- 329.22345 201.7
[M+Na-2H]- 291.18427 171.3
[M]+ 270.20905 167.3
[M]- 270.21015 167.3
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

No patent data available for this compound.