CID 155586901

Azd5305

Structural Information

Molecular Formula
C22H26N6O2
SMILES
CCC1=CC2=C(C=C(C=N2)CN3CCN(CC3)C4=CN=C(C=C4)C(=O)NC)NC1=O
InChI
InChI=1S/C22H26N6O2/c1-3-16-11-19-20(26-21(16)29)10-15(12-24-19)14-27-6-8-28(9-7-27)17-4-5-18(25-13-17)22(30)23-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,23,30)(H,26,29)
InChIKey
WQAVGRAETZEADU-UHFFFAOYSA-N
Compound name
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

316
Patents

406.21173 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.21901 203.2
[M+Na]+ 429.20095 209.0
[M-H]- 405.20445 205.1
[M+NH4]+ 424.24555 206.3
[M+K]+ 445.17489 200.7
[M+H-H2O]+ 389.20899 189.7
[M+HCOO]- 451.20993 213.5
[M+CH3COO]- 465.22558 208.7
[M+Na-2H]- 427.18640 205.1
[M]+ 406.21118 199.3
[M]- 406.21228 199.3
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.