CID 62154156

2-(4-methylpiperazine-1-carbonyl)pyridin-4-amine

Structural Information

Molecular Formula
C11H16N4O
SMILES
CN1CCN(CC1)C(=O)C2=NC=CC(=C2)N
InChI
InChI=1S/C11H16N4O/c1-14-4-6-15(7-5-14)11(16)10-8-9(12)2-3-13-10/h2-3,8H,4-7H2,1H3,(H2,12,13)
InChIKey
QDELEMUAOBPFMP-UHFFFAOYSA-N
Compound name
(4-aminopyridin-2-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

220.13242 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 152.1
[M+Na]+ 243.12164 158.1
[M-H]- 219.12514 153.8
[M+NH4]+ 238.16624 165.6
[M+K]+ 259.09558 154.9
[M+H-H2O]+ 203.12968 142.6
[M+HCOO]- 265.13062 169.0
[M+CH3COO]- 279.14627 190.2
[M+Na-2H]- 241.10709 155.6
[M]+ 220.13187 146.5
[M]- 220.13297 146.5
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

patents stripe