CID 162828

57547-01-0

Structural Information

Molecular Formula
C24H38ClN3O
SMILES
CCCCC(=O)C1(CCN(CC1)CCCN2CCN(CC2)C)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C24H38ClN3O/c1-3-4-9-23(29)24(21-7-5-8-22(25)20-21)10-14-27(15-11-24)12-6-13-28-18-16-26(2)17-19-28/h5,7-8,20H,3-4,6,9-19H2,1-2H3
InChIKey
GHFUGLBRQQQWGX-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

419.27036 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.27764 207.1
[M+Na]+ 442.25958 208.6
[M-H]- 418.26308 209.5
[M+NH4]+ 437.30418 215.0
[M+K]+ 458.23352 201.8
[M+H-H2O]+ 402.26762 194.8
[M+HCOO]- 464.26856 211.3
[M+CH3COO]- 478.28421 226.2
[M+Na-2H]- 440.24503 203.3
[M]+ 419.26981 203.3
[M]- 419.27091 203.3
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.