CID 210476

21263-27-4

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H32N2O2/c1-3-28-24(19-21-7-5-4-6-8-21)26-17-15-25(16-18-26)14-13-23(27)22-11-9-20(2)10-12-22/h4-12,24H,3,13-19H2,1-2H3
InChIKey
DWMKWCBEXVXFQQ-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 196.8
[M+Na]+ 403.23559 198.3
[M-H]- 379.23909 201.5
[M+NH4]+ 398.28019 204.5
[M+K]+ 419.20953 193.2
[M+H-H2O]+ 363.24363 184.7
[M+HCOO]- 425.24457 210.4
[M+CH3COO]- 439.26022 221.2
[M+Na-2H]- 401.22104 195.2
[M]+ 380.24582 194.7
[M]- 380.24692 194.7
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.