CID 478045

4-(3-benzyl-4-chloro-7-methyl-1,8-naphthyridin-2-yl)morpholine

Structural Information

Molecular Formula
C20H20ClN3O
SMILES
CC1=NC2=NC(=C(C(=C2C=C1)Cl)CC3=CC=CC=C3)N4CCOCC4
InChI
InChI=1S/C20H20ClN3O/c1-14-7-8-16-18(21)17(13-15-5-3-2-4-6-15)20(23-19(16)22-14)24-9-11-25-12-10-24/h2-8H,9-13H2,1H3
InChIKey
HBQBCXBZOCIRMB-UHFFFAOYSA-N
Compound name
4-(3-benzyl-4-chloro-7-methyl-1,8-naphthyridin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.1295 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13678 186.5
[M+Na]+ 376.11872 194.5
[M-H]- 352.12222 192.4
[M+NH4]+ 371.16332 195.2
[M+K]+ 392.09266 187.8
[M+H-H2O]+ 336.12676 174.1
[M+HCOO]- 398.12770 195.6
[M+CH3COO]- 412.14335 195.2
[M+Na-2H]- 374.10417 190.2
[M]+ 353.12895 186.2
[M]- 353.13005 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.