CID 43986

62270-81-9

Structural Information

Molecular Formula
C21H32ClN3O
SMILES
CC(=O)C1(CCN(CC1)CCCN2CCN(CC2)C)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H32ClN3O/c1-18(26)21(19-5-3-6-20(22)17-19)7-11-24(12-8-21)9-4-10-25-15-13-23(2)14-16-25/h3,5-6,17H,4,7-16H2,1-2H3
InChIKey
BOLZJOPMCQUMPD-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.2234 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.23068 194.6
[M+Na]+ 400.21262 197.5
[M-H]- 376.21612 197.6
[M+NH4]+ 395.25722 204.3
[M+K]+ 416.18656 191.3
[M+H-H2O]+ 360.22066 182.9
[M+HCOO]- 422.22160 199.8
[M+CH3COO]- 436.23725 217.5
[M+Na-2H]- 398.19807 192.3
[M]+ 377.22285 189.7
[M]- 377.22395 189.7
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.