CID 17834423

Ns00041952

Structural Information

Molecular Formula
C17H19ClN2
SMILES
C1CN(CCN1)CC2=CC=CC=C2C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2/c18-16-7-5-14(6-8-16)17-4-2-1-3-15(17)13-20-11-9-19-10-12-20/h1-8,19H,9-13H2
InChIKey
FHVIXOVHBOEBEK-UHFFFAOYSA-N
Compound name
1-[[2-(4-chlorophenyl)phenyl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

286.1237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.130976 167.3
[M+Na]+ 309.112918 173.0
[M-H]- 285.116424 171.4
[M+NH4]+ 304.157523 179.7
[M+K]+ 325.086858 165.3
[M+H-H2O]+ 269.120960 157.4
[M+HCOO]- 331.121901 178.7
[M+CH3COO]- 345.137551 176.5
[M+Na-2H]- 307.098366 170.7
[M]+ 286.12315142 162.4
[M]- 286.12424858 162.4
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

patents stripe