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 159.7
[M+Na]+ 273.13219 166.1
[M-H]- 249.13569 161.6
[M+NH4]+ 268.17679 172.2
[M+K]+ 289.10613 163.2
[M+H-H2O]+ 233.14023 150.1
[M+HCOO]- 295.14117 176.4
[M+CH3COO]- 309.15682 196.6
[M+Na-2H]- 271.11764 161.9
[M]+ 250.14242 156.3
[M]- 250.14352 156.3
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

No patent data available for this compound.