CID 200406

Brn 0566881

Structural Information

Molecular Formula
C21H27ClN2O
SMILES
CC1=CC=CC=C1OCCCCN2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H27ClN2O/c1-18-6-2-3-7-21(18)25-17-5-4-12-23-13-15-24(16-14-23)20-10-8-19(22)9-11-20/h2-3,6-11H,4-5,12-17H2,1H3
InChIKey
JWKLKVSBAUXWEZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[4-(2-methylphenoxy)butyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18118 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18846 189.2
[M+Na]+ 381.17040 205.0
[M+NH4]+ 376.21500 197.7
[M+K]+ 397.14434 194.2
[M-H]- 357.17390 195.3
[M+Na-2H]- 379.15585 198.4
[M]+ 358.18063 193.6
[M]- 358.18173 193.6
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.