CID 3058711

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

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCCOC1=C(C=C(C=C1)CN2CCC3=C(C2)C=CC=N3)OCCC
InChI
InChI=1S/C21H28N2O2/c1-3-12-24-20-8-7-17(14-21(20)25-13-4-2)15-23-11-9-19-18(16-23)6-5-10-22-19/h5-8,10,14H,3-4,9,11-13,15-16H2,1-2H3
InChIKey
IZVMDMPFONAFGL-UHFFFAOYSA-N
Compound name
6-[(3,4-dipropoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 185.7
[M+Na]+ 363.204318 191.0
[M-H]- 339.207824 189.1
[M+NH4]+ 358.248923 197.2
[M+K]+ 379.178258 185.8
[M+H-H2O]+ 323.212360 174.7
[M+HCOO]- 385.213301 202.1
[M+CH3COO]- 399.228951 213.9
[M+Na-2H]- 361.189766 188.8
[M]+ 340.21455142 187.7
[M]- 340.21564858 187.7
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