CID 210472

21263-25-2

Structural Information

Molecular Formula
C23H29ClN2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN2O2/c1-2-28-23(18-19-6-4-3-5-7-19)26-16-14-25(15-17-26)13-12-22(27)20-8-10-21(24)11-9-20/h3-11,23H,2,12-18H2,1H3
InChIKey
OXLHOVDXUVIAPW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.19174 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19902 197.8
[M+Na]+ 423.18096 200.6
[M-H]- 399.18446 202.4
[M+NH4]+ 418.22556 205.7
[M+K]+ 439.15490 194.1
[M+H-H2O]+ 383.18900 186.3
[M+HCOO]- 445.18994 207.2
[M+CH3COO]- 459.20559 221.7
[M+Na-2H]- 421.16641 196.3
[M]+ 400.19119 197.8
[M]- 400.19229 197.8
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.