CID 209320

19729-90-9

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H19ClN2O/c1-2-7-16-8-10-17(11-9-16)14(18)12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
InChIKey
BCBXMXSLRTUIDH-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.125876 161.7
[M+Na]+ 289.107818 167.8
[M-H]- 265.111324 164.4
[M+NH4]+ 284.152423 176.1
[M+K]+ 305.081758 162.9
[M+H-H2O]+ 249.115860 153.1
[M+HCOO]- 311.116801 173.8
[M+CH3COO]- 325.132451 195.7
[M+Na-2H]- 287.093266 163.6
[M]+ 266.11805142 160.2
[M]- 266.11914858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.