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]+ 339.243076 186.7
[M+Na]+ 361.225018 190.6
[M-H]- 337.228524 192.0
[M+NH4]+ 356.269623 196.9
[M+K]+ 377.198958 184.8
[M+H-H2O]+ 321.233060 175.0
[M+HCOO]- 383.234001 202.7
[M+CH3COO]- 397.249651 213.5
[M+Na-2H]- 359.210466 187.5
[M]+ 338.23525142 184.9
[M]- 338.23634858 184.9
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.