CID 3058710

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

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCCOC1=C(C=CC(=C1)CN2CCC3=C(C2)C=CC=N3)OC
InChI
InChI=1S/C19H24N2O2/c1-3-11-23-19-12-15(6-7-18(19)22-2)13-21-10-8-17-16(14-21)5-4-9-20-17/h4-7,9,12H,3,8,10-11,13-14H2,1-2H3
InChIKey
FGBRPGMHMAESHM-UHFFFAOYSA-N
Compound name
6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 176.7
[M+Na]+ 335.17300 182.9
[M-H]- 311.17650 180.5
[M+NH4]+ 330.21760 189.4
[M+K]+ 351.14694 178.2
[M+H-H2O]+ 295.18104 166.1
[M+HCOO]- 357.18198 193.8
[M+CH3COO]- 371.19763 208.1
[M+Na-2H]- 333.15845 180.9
[M]+ 312.18323 178.1
[M]- 312.18433 178.1
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