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]+ 339.20671 183.4
[M+Na]+ 361.18865 185.3
[M-H]- 337.19215 188.3
[M+NH4]+ 356.23325 192.6
[M+K]+ 377.16259 180.8
[M+H-H2O]+ 321.19669 171.7
[M+HCOO]- 383.19763 198.1
[M+CH3COO]- 397.21328 211.2
[M+Na-2H]- 359.17410 184.1
[M]+ 338.19888 179.9
[M]- 338.19998 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