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

1
Patents

312.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.191056 176.7
[M+Na]+ 335.172998 182.9
[M-H]- 311.176504 180.5
[M+NH4]+ 330.217603 189.4
[M+K]+ 351.146938 178.2
[M+H-H2O]+ 295.181040 166.1
[M+HCOO]- 357.181981 193.8
[M+CH3COO]- 371.197631 208.1
[M+Na-2H]- 333.158446 180.9
[M]+ 312.18323142 178.1
[M]- 312.18432858 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