CID 16074366

[1,4-bis(pyridine-4-carbonyl)piperazin-2-yl]methyl n,n-diethylcarbamate

Structural Information

Molecular Formula
C22H27N5O4
SMILES
CCN(CC)C(=O)OCC1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C3=CC=NC=C3
InChI
InChI=1S/C22H27N5O4/c1-3-25(4-2)22(30)31-16-19-15-26(20(28)17-5-9-23-10-6-17)13-14-27(19)21(29)18-7-11-24-12-8-18/h5-12,19H,3-4,13-16H2,1-2H3
InChIKey
GIVODROAGSIZTL-UHFFFAOYSA-N
Compound name
[1,4-bis(pyridine-4-carbonyl)piperazin-2-yl]methyl N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.2063 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21358 201.8
[M+Na]+ 448.19552 203.7
[M-H]- 424.19902 206.0
[M+NH4]+ 443.24012 205.1
[M+K]+ 464.16946 200.7
[M+H-H2O]+ 408.20356 188.5
[M+HCOO]- 470.20450 214.8
[M+CH3COO]- 484.22015 230.2
[M+Na-2H]- 446.18097 201.2
[M]+ 425.20575 201.3
[M]- 425.20685 201.3
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.