CID 3079114

Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CCOC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H21N3O2/c1-2-23-17-7-3-6-16(13-17)20-9-11-21(12-10-20)18(22)15-5-4-8-19-14-15/h3-8,13-14H,2,9-12H2,1H3
InChIKey
ZLSAFQHNHUXRAB-UHFFFAOYSA-N
Compound name
[4-(3-ethoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.170676 175.6
[M+Na]+ 334.152618 180.2
[M-H]- 310.156124 179.9
[M+NH4]+ 329.197223 185.0
[M+K]+ 350.126558 175.6
[M+H-H2O]+ 294.160660 163.7
[M+HCOO]- 356.161601 190.9
[M+CH3COO]- 370.177251 184.2
[M+Na-2H]- 332.138066 178.3
[M]+ 311.16285142 172.5
[M]- 311.16394858 172.5
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.