CID 510018

7-chloro-4-phenyl-2-piperazin-1-yl-1,8-naphthyridine

Structural Information

Molecular Formula
C18H17ClN4
SMILES
C1CN(CCN1)C2=NC3=C(C=CC(=N3)Cl)C(=C2)C4=CC=CC=C4
InChI
InChI=1S/C18H17ClN4/c19-16-7-6-14-15(13-4-2-1-3-5-13)12-17(22-18(14)21-16)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2
InChIKey
ZIQZXKFEXDIUPW-UHFFFAOYSA-N
Compound name
7-chloro-4-phenyl-2-piperazin-1-yl-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.11417 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12145 177.0
[M+Na]+ 347.10339 184.4
[M-H]- 323.10689 179.4
[M+NH4]+ 342.14799 185.8
[M+K]+ 363.07733 175.3
[M+H-H2O]+ 307.11143 164.5
[M+HCOO]- 369.11237 184.8
[M+CH3COO]- 383.12802 184.9
[M+Na-2H]- 345.08884 182.0
[M]+ 324.11362 172.4
[M]- 324.11472 172.4
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

No patent data available for this compound.