CID 2737191

667462-10-4

Structural Information

Molecular Formula
C11H16N4O
SMILES
C1CN(CCN1)CC(=O)NC2=CN=CC=C2
InChI
InChI=1S/C11H16N4O/c16-11(9-15-6-4-12-5-7-15)14-10-2-1-3-13-8-10/h1-3,8,12H,4-7,9H2,(H,14,16)
InChIKey
KZDQSSWDBHIGIX-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-N-pyridin-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

220.13242 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 150.7
[M+Na]+ 243.12164 154.2
[M-H]- 219.12514 150.6
[M+NH4]+ 238.16624 163.0
[M+K]+ 259.09558 150.5
[M+H-H2O]+ 203.12968 140.9
[M+HCOO]- 265.13062 166.7
[M+CH3COO]- 279.14627 186.0
[M+Na-2H]- 241.10709 156.4
[M]+ 220.13187 143.4
[M]- 220.13297 143.4
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