CID 45489910

5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinamine

Structural Information

Molecular Formula
C12H20N4
SMILES
CCN1CCN(CC1)CC2=CN=C(C=C2)N
InChI
InChI=1S/C12H20N4/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(13)14-9-11/h3-4,9H,2,5-8,10H2,1H3,(H2,13,14)
InChIKey
MNJBMPQTXVZMFZ-UHFFFAOYSA-N
Compound name
5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

220.1688 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 154.1
[M+Na]+ 243.158018 159.7
[M-H]- 219.161524 155.4
[M+NH4]+ 238.202623 167.8
[M+K]+ 259.131958 155.8
[M+H-H2O]+ 203.166060 144.3
[M+HCOO]- 265.167001 171.2
[M+CH3COO]- 279.182651 191.7
[M+Na-2H]- 241.143466 158.2
[M]+ 220.16825142 148.8
[M]- 220.16934858 148.8
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