CID 3058716

6-(1-phenylpropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Structural Information

Molecular Formula
C17H20N2
SMILES
CCC(C1=CC=CC=C1)N2CCC3=C(C2)C=CC=N3
InChI
InChI=1S/C17H20N2/c1-2-17(14-7-4-3-5-8-14)19-12-10-16-15(13-19)9-6-11-18-16/h3-9,11,17H,2,10,12-13H2,1H3
InChIKey
YQSAGJDOGIZJBD-UHFFFAOYSA-N
Compound name
6-(1-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 160.4
[M+Na]+ 275.15186 165.6
[M-H]- 251.15536 163.9
[M+NH4]+ 270.19646 175.1
[M+K]+ 291.12580 160.6
[M+H-H2O]+ 235.15990 150.5
[M+HCOO]- 297.16084 176.9
[M+CH3COO]- 311.17649 170.5
[M+Na-2H]- 273.13731 166.1
[M]+ 252.16209 156.9
[M]- 252.16319 156.9
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.