CID 3045006

Piperazine, 1-(o-methoxyphenyl)-4-nicotinoylmethyl-

Structural Information

Molecular Formula
C18H21N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H21N3O2/c1-23-18-7-3-2-6-16(18)21-11-9-20(10-12-21)14-17(22)15-5-4-8-19-13-15/h2-8,13H,9-12,14H2,1H3
InChIKey
OUIAVCBTBVYMAZ-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-3-ylethanone
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]+ 312.17068 175.2
[M+Na]+ 334.15262 179.8
[M-H]- 310.15612 179.6
[M+NH4]+ 329.19722 184.6
[M+K]+ 350.12656 175.1
[M+H-H2O]+ 294.16066 163.3
[M+HCOO]- 356.16160 190.6
[M+CH3COO]- 370.17725 183.9
[M+Na-2H]- 332.13807 178.0
[M]+ 311.16285 172.2
[M]- 311.16395 172.2
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.