CID 3050034

65489-04-5

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC(=O)C(C1=CC=CC=C1)N2CCN(CC2)CCOC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-18(24)21(19-8-4-2-5-9-19)23-14-12-22(13-15-23)16-17-25-20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3
InChIKey
MJDBLKBXDHXADL-UHFFFAOYSA-N
Compound name
1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 183.4
[M+Na]+ 361.188648 185.3
[M-H]- 337.192154 188.3
[M+NH4]+ 356.233253 192.6
[M+K]+ 377.162588 180.8
[M+H-H2O]+ 321.196690 171.7
[M+HCOO]- 383.197631 198.1
[M+CH3COO]- 397.213281 211.2
[M+Na-2H]- 359.174096 184.1
[M]+ 338.19888142 179.9
[M]- 338.19997858 179.9
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