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]+ 367.27440 195.2
[M+Na]+ 389.25634 198.5
[M-H]- 365.25984 200.7
[M+NH4]+ 384.30094 204.4
[M+K]+ 405.23028 193.4
[M+H-H2O]+ 349.26438 184.1
[M+HCOO]- 411.26532 207.9
[M+CH3COO]- 425.28097 220.1
[M+Na-2H]- 387.24179 194.8
[M]+ 366.26657 193.0
[M]- 366.26767 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.