CID 574780

Bd 1063 dihydrochloride

Structural Information

Molecular Formula
C13H18Cl2N2
SMILES
CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3
InChIKey
SUIZRDJCBVPASY-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

64
References

138
Patents

272.08472 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09200 160.4
[M+Na]+ 295.07394 175.8
[M+NH4]+ 290.11854 169.7
[M+K]+ 311.04788 166.3
[M-H]- 271.07744 164.2
[M+Na-2H]- 293.05939 168.1
[M]+ 272.08417 164.4
[M]- 272.08527 164.4
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

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