CID 710515

1-(4-ethoxybenzoyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O2/c1-2-23-18-10-8-16(9-11-18)19(22)21-14-12-20(13-15-21)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3
InChIKey
LAOATAZHSOBHFH-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 175.4
[M+Na]+ 333.157338 179.6
[M-H]- 309.160844 181.0
[M+NH4]+ 328.201943 186.3
[M+K]+ 349.131278 175.0
[M+H-H2O]+ 293.165380 164.2
[M+HCOO]- 355.166321 191.8
[M+CH3COO]- 369.181971 205.0
[M+Na-2H]- 331.142786 177.5
[M]+ 310.16757142 172.2
[M]- 310.16866858 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

literature stripe

Patent stripe

No patent data available for this compound.