CID 200411

1-phenyl-4-(4-(2,6-xylyloxy)butyl)piperazine hydrochloride

Structural Information

Molecular Formula
C22H30N2O
SMILES
CC1=C(C(=CC=C1)C)OCCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O/c1-19-9-8-10-20(2)22(19)25-18-7-6-13-23-14-16-24(17-15-23)21-11-4-3-5-12-21/h3-5,8-12H,6-7,13-18H2,1-2H3
InChIKey
SXUZCEPNGSAWRE-UHFFFAOYSA-N
Compound name
1-[4-(2,6-dimethylphenoxy)butyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 187.6
[M+Na]+ 361.22502 202.3
[M+NH4]+ 356.26962 195.7
[M+K]+ 377.19896 192.3
[M-H]- 337.22852 193.7
[M+Na-2H]- 359.21047 196.5
[M]+ 338.23525 191.5
[M]- 338.23635 191.5
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.