CID 478046

3-benzyl-4-chloro-7-methyl-2-(1-piperidinyl)[1,8]naphthyridine

Structural Information

Molecular Formula
C21H22ClN3
SMILES
CC1=NC2=NC(=C(C(=C2C=C1)Cl)CC3=CC=CC=C3)N4CCCCC4
InChI
InChI=1S/C21H22ClN3/c1-15-10-11-17-19(22)18(14-16-8-4-2-5-9-16)21(24-20(17)23-15)25-12-6-3-7-13-25/h2,4-5,8-11H,3,6-7,12-14H2,1H3
InChIKey
OULJHLHNNVBFRE-UHFFFAOYSA-N
Compound name
3-benzyl-4-chloro-7-methyl-2-piperidin-1-yl-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.15024 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15752 186.9
[M+Na]+ 374.13946 194.3
[M-H]- 350.14296 191.8
[M+NH4]+ 369.18406 197.0
[M+K]+ 390.11340 185.6
[M+H-H2O]+ 334.14750 174.4
[M+HCOO]- 396.14844 196.4
[M+CH3COO]- 410.16409 195.1
[M+Na-2H]- 372.12491 189.7
[M]+ 351.14969 184.9
[M]- 351.15079 184.9
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.