CID 477671

Methyl 4-(7-methoxy-4-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C21H22N4O3
SMILES
COC1=NC2=C(C=C1)C(=CC(=N2)N3CCN(CC3)C(=O)OC)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O3/c1-27-19-9-8-16-17(15-6-4-3-5-7-15)14-18(22-20(16)23-19)24-10-12-25(13-11-24)21(26)28-2/h3-9,14H,10-13H2,1-2H3
InChIKey
FMXINDVFTVXABO-UHFFFAOYSA-N
Compound name
methyl 4-(7-methoxy-4-phenyl-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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 193.9
[M+Na]+ 401.15842 200.0
[M-H]- 377.16192 198.1
[M+NH4]+ 396.20302 200.2
[M+K]+ 417.13236 194.4
[M+H-H2O]+ 361.16646 180.4
[M+HCOO]- 423.16740 206.3
[M+CH3COO]- 437.18305 201.2
[M+Na-2H]- 399.14387 196.5
[M]+ 378.16865 192.8
[M]- 378.16975 192.8
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.