CID 3058704

1,6-naphthyridine, 5,6,7,8-tetrahydro-6-(3-phenoxypropyl)-

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1CN(CC2=C1N=CC=C2)CCCOC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O/c1-2-7-16(8-3-1)20-13-5-11-19-12-9-17-15(14-19)6-4-10-18-17/h1-4,6-8,10H,5,9,11-14H2
InChIKey
GVHURPYMTIYADW-UHFFFAOYSA-N
Compound name
6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.5
[M+Na]+ 291.14678 168.9
[M-H]- 267.15028 166.9
[M+NH4]+ 286.19138 177.5
[M+K]+ 307.12072 163.9
[M+H-H2O]+ 251.15482 153.1
[M+HCOO]- 313.15576 181.1
[M+CH3COO]- 327.17141 173.5
[M+Na-2H]- 289.13223 170.3
[M]+ 268.15701 162.0
[M]- 268.15811 162.0
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