CID 5493659

Ethyl 4-(7-hydroxy-6-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C21H22N4O3
SMILES
CCOC(=O)N1CCN(CC1)C2=NC3=C(C=C2)C=C(C(=O)N3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O3/c1-2-28-21(27)25-12-10-24(11-13-25)18-9-8-16-14-17(15-6-4-3-5-7-15)20(26)23-19(16)22-18/h3-9,14H,2,10-13H2,1H3,(H,22,23,26)
InChIKey
ZKKYTKDTBKMMCF-UHFFFAOYSA-N
Compound name
ethyl 4-(7-oxo-6-phenyl-8H-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.1692 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 193.3
[M+Na]+ 401.15842 199.3
[M-H]- 377.16192 196.3
[M+NH4]+ 396.20302 198.9
[M+K]+ 417.13236 192.3
[M+H-H2O]+ 361.16646 180.3
[M+HCOO]- 423.16740 204.5
[M+CH3COO]- 437.18305 200.1
[M+Na-2H]- 399.14387 195.6
[M]+ 378.16865 189.9
[M]- 378.16975 189.9
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.