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

0
Patents

340.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 185.7
[M+Na]+ 363.20432 191.0
[M-H]- 339.20782 189.1
[M+NH4]+ 358.24892 197.2
[M+K]+ 379.17826 185.8
[M+H-H2O]+ 323.21236 174.7
[M+HCOO]- 385.21330 202.1
[M+CH3COO]- 399.22895 213.9
[M+Na-2H]- 361.18977 188.8
[M]+ 340.21455 187.7
[M]- 340.21565 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