CID 210456

21263-17-2

Structural Information

Molecular Formula
C27H37ClN2O2
SMILES
CC(C)CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C27H37ClN2O2/c1-21(2)13-18-32-26(23-7-5-4-6-8-23)20-30-16-14-29(15-17-30)19-22(3)27(31)24-9-11-25(28)12-10-24/h4-12,21-22,26H,13-20H2,1-3H3
InChIKey
ZEUDIDRBLPIWLB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.25436 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.26164 213.4
[M+Na]+ 479.24358 213.8
[M-H]- 455.24708 217.5
[M+NH4]+ 474.28818 218.8
[M+K]+ 495.21752 207.6
[M+H-H2O]+ 439.25162 201.7
[M+HCOO]- 501.25256 219.5
[M+CH3COO]- 515.26821 234.9
[M+Na-2H]- 477.22903 207.8
[M]+ 456.25381 213.7
[M]- 456.25491 213.7
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.