CID 210438

21263-08-1

Structural Information

Molecular Formula
C24H31ClN2O2
SMILES
CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C24H31ClN2O2/c1-3-29-23(20-7-5-4-6-8-20)18-27-15-13-26(14-16-27)17-19(2)24(28)21-9-11-22(25)12-10-21/h4-12,19,23H,3,13-18H2,1-2H3
InChIKey
IZIUNFVEVYKQQO-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.2074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21468 201.3
[M+Na]+ 437.19662 203.4
[M-H]- 413.20012 205.9
[M+NH4]+ 432.24122 208.6
[M+K]+ 453.17056 197.3
[M+H-H2O]+ 397.20466 189.9
[M+HCOO]- 459.20560 209.5
[M+CH3COO]- 473.22125 225.5
[M+Na-2H]- 435.18207 198.3
[M]+ 414.20685 201.1
[M]- 414.20795 201.1
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.