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-amino-2-pyridinyl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.13242 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.139696 152.1
[M+Na]+ 243.121638 158.1
[M-H]- 219.125144 153.8
[M+NH4]+ 238.166243 165.6
[M+K]+ 259.095578 154.9
[M+H-H2O]+ 203.129680 142.6
[M+HCOO]- 265.130621 169.0
[M+CH3COO]- 279.146271 190.2
[M+Na-2H]- 241.107086 155.6
[M]+ 220.13187142 146.5
[M]- 220.13296858 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