CID 47003077

1-[4-(3-amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC)N
InChI
InChI=1S/C12H18N4O2/c1-9(17)15-5-7-16(8-6-15)12-10(13)3-4-11(14-12)18-2/h3-4H,5-8,13H2,1-2H3
InChIKey
SLSGBZVKCWAPAV-UHFFFAOYSA-N
Compound name
1-[4-(3-amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.14297 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 158.4
[M+Na]+ 273.13219 169.5
[M+NH4]+ 268.17679 164.4
[M+K]+ 289.10613 164.7
[M-H]- 249.13569 160.1
[M+Na-2H]- 271.11764 163.6
[M]+ 250.14242 160.1
[M]- 250.14352 160.1
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.