CID 66545192

Ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCOC(=O)C1=NC(=CC=C1)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-10-18(20-17)22-13-11-21(12-14-22)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3
InChIKey
RZRSCEMCRCQYGG-UHFFFAOYSA-N
Compound name
ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 179.9
[M+Na]+ 348.168238 184.1
[M-H]- 324.171744 184.1
[M+NH4]+ 343.212843 188.8
[M+K]+ 364.142178 179.2
[M+H-H2O]+ 308.176280 167.8
[M+HCOO]- 370.177221 194.9
[M+CH3COO]- 384.192871 207.8
[M+Na-2H]- 346.153686 182.1
[M]+ 325.17847142 177.2
[M]- 325.17956858 177.2
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.