CID 24841962

39426-77-2

Structural Information

Molecular Formula
C21H32ClN3O
SMILES
CC(=O)C1CN(CCC1C2=CC=C(C=C2)Cl)CCCN3CCN(CC3)C
InChI
InChI=1S/C21H32ClN3O/c1-17(26)21-16-25(10-3-9-24-14-12-23(2)13-15-24)11-8-20(21)18-4-6-19(22)7-5-18/h4-7,20-21H,3,8-16H2,1-2H3
InChIKey
OEIHQMQBOJVUFI-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.2234 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.23068 196.1
[M+Na]+ 400.21262 199.0
[M-H]- 376.21612 199.1
[M+NH4]+ 395.25722 204.1
[M+K]+ 416.18656 192.3
[M+H-H2O]+ 360.22066 184.3
[M+HCOO]- 422.22160 201.2
[M+CH3COO]- 436.23725 219.2
[M+Na-2H]- 398.19807 192.0
[M]+ 377.22285 191.4
[M]- 377.22395 191.4
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.