CID 3040783

52943-18-7

Structural Information

Molecular Formula
C15H24N4O
SMILES
CCN(CC)C(=O)C1=C(N=CC=C1)N2CCN(CC2)C
InChI
InChI=1S/C15H24N4O/c1-4-18(5-2)15(20)13-7-6-8-16-14(13)19-11-9-17(3)10-12-19/h6-8H,4-5,9-12H2,1-3H3
InChIKey
BRTXDJBLDBQLKA-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.195 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.202276 168.6
[M+Na]+ 299.184218 172.9
[M-H]- 275.187724 171.5
[M+NH4]+ 294.228823 180.6
[M+K]+ 315.158158 170.5
[M+H-H2O]+ 259.192260 158.0
[M+HCOO]- 321.193201 185.2
[M+CH3COO]- 335.208851 206.2
[M+Na-2H]- 297.169666 170.3
[M]+ 276.19445142 166.6
[M]- 276.19554858 166.6
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

No patent data available for this compound.