CID 3012862

Chembl186382

Structural Information

Molecular Formula
C19H19N5O3
SMILES
CN1C=C(C(=O)C2=CN=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)C(=O)O
InChI
InChI=1S/C19H19N5O3/c1-22-12-14(19(26)27)18(25)13-11-21-17(10-15(13)22)24-8-6-23(7-9-24)16-4-2-3-5-20-16/h2-5,10-12H,6-9H2,1H3,(H,26,27)
InChIKey
VTJFIJLITWNFGN-UHFFFAOYSA-N
Compound name
1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.1488 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15608 190.4
[M+Na]+ 388.13802 198.1
[M-H]- 364.14152 192.8
[M+NH4]+ 383.18262 195.3
[M+K]+ 404.11196 191.1
[M+H-H2O]+ 348.14606 177.4
[M+HCOO]- 410.14700 200.8
[M+CH3COO]- 424.16265 197.5
[M+Na-2H]- 386.12347 192.9
[M]+ 365.14825 187.5
[M]- 365.14935 187.5
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.