CID 2454965

2-chloro-1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one hydrochloride

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C14H19ClN2O/c1-12-3-2-4-13(9-12)11-16-5-7-17(8-6-16)14(18)10-15/h2-4,9H,5-8,10-11H2,1H3
InChIKey
DVBSBXBABNLMIS-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

266.1186 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 161.7
[M+Na]+ 289.10782 167.8
[M-H]- 265.11132 164.4
[M+NH4]+ 284.15242 176.1
[M+K]+ 305.08176 162.9
[M+H-H2O]+ 249.11586 153.1
[M+HCOO]- 311.11680 173.8
[M+CH3COO]- 325.13245 195.7
[M+Na-2H]- 287.09327 163.6
[M]+ 266.11805 160.2
[M]- 266.11915 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.