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]+ 253.169916 160.4
[M+Na]+ 275.151858 165.6
[M-H]- 251.155364 163.9
[M+NH4]+ 270.196463 175.1
[M+K]+ 291.125798 160.6
[M+H-H2O]+ 235.159900 150.5
[M+HCOO]- 297.160841 176.9
[M+CH3COO]- 311.176491 170.5
[M+Na-2H]- 273.137306 166.1
[M]+ 252.16209142 156.9
[M]- 252.16318858 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.