CID 202345

2-(alpha-(o-tert-butylphenyl)benzyloxymethyl)-1,4-dimethylpiperazine dioxalate

Structural Information

Molecular Formula
C24H34N2O
SMILES
CC(C)(C)C1=CC=CC=C1C(C2=CC=CC=C2)OCC3CN(CCN3C)C
InChI
InChI=1S/C24H34N2O/c1-24(2,3)22-14-10-9-13-21(22)23(19-11-7-6-8-12-19)27-18-20-17-25(4)15-16-26(20)5/h6-14,20,23H,15-18H2,1-5H3
InChIKey
HFRIWNUTMGNPKN-UHFFFAOYSA-N
Compound name
2-[[(2-tert-butylphenyl)-phenylmethoxy]methyl]-1,4-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.26712 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.274396 195.2
[M+Na]+ 389.256338 198.5
[M-H]- 365.259844 200.7
[M+NH4]+ 384.300943 204.4
[M+K]+ 405.230278 193.4
[M+H-H2O]+ 349.264380 184.1
[M+HCOO]- 411.265321 207.9
[M+CH3COO]- 425.280971 220.1
[M+Na-2H]- 387.241786 194.8
[M]+ 366.26657142 193.0
[M]- 366.26766858 193.0
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.