CID 3058696

1,6-naphthyridine, 5,6,7,8-tetrahydro-6-((3,4-dimethoxyphenyl)methyl)-

Structural Information

Molecular Formula
C17H20N2O2
SMILES
COC1=C(C=C(C=C1)CN2CCC3=C(C2)C=CC=N3)OC
InChI
InChI=1S/C17H20N2O2/c1-20-16-6-5-13(10-17(16)21-2)11-19-9-7-15-14(12-19)4-3-8-18-15/h3-6,8,10H,7,9,11-12H2,1-2H3
InChIKey
FGPOAVHUVMWZQN-UHFFFAOYSA-N
Compound name
6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 167.6
[M+Na]+ 307.141688 174.8
[M-H]- 283.145194 171.9
[M+NH4]+ 302.186293 181.5
[M+K]+ 323.115628 170.5
[M+H-H2O]+ 267.149730 157.5
[M+HCOO]- 329.150671 185.5
[M+CH3COO]- 343.166321 178.2
[M+Na-2H]- 305.127136 172.9
[M]+ 284.15192142 168.4
[M]- 284.15301858 168.4
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