CID 24710920

2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C12H14N4O
SMILES
CC(=O)N1CCN(CC1)C2=NC=CC(=C2)C#N
InChI
InChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-8-11(9-13)2-3-14-12/h2-3,8H,4-7H2,1H3
InChIKey
VQKPYKKEBRBJOS-UHFFFAOYSA-N
Compound name
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.124036 149.6
[M+Na]+ 253.105978 157.5
[M-H]- 229.109484 150.1
[M+NH4]+ 248.150583 161.3
[M+K]+ 269.079918 153.4
[M+H-H2O]+ 213.114020 133.4
[M+HCOO]- 275.114961 162.4
[M+CH3COO]- 289.130611 201.4
[M+Na-2H]- 251.091426 152.9
[M]+ 230.11621142 140.8
[M]- 230.11730858 140.8
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.