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
3
Annotation Hits

10
References

340
Patents

406.21173 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.219006 203.2
[M+Na]+ 429.200948 209.0
[M-H]- 405.204454 205.1
[M+NH4]+ 424.245553 206.3
[M+K]+ 445.174888 200.7
[M+H-H2O]+ 389.208990 189.7
[M+HCOO]- 451.209931 213.5
[M+CH3COO]- 465.225581 208.7
[M+Na-2H]- 427.186396 205.1
[M]+ 406.21118142 199.3
[M]- 406.21227858 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

literature stripe

Patent stripe

patents stripe