CID 202348

Piperazine, 1-(2-(2-(diphenylmethoxy)ethoxy)ethyl)-2,4,5-trimethyl-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C24H34N2O2
SMILES
C[C@@H]1CN([C@H](CN1CCOCCOC(C2=CC=CC=C2)C3=CC=CC=C3)C)C
InChI
InChI=1S/C24H34N2O2/c1-20-19-26(21(2)18-25(20)3)14-15-27-16-17-28-24(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24H,14-19H2,1-3H3/t20-,21+/m0/s1
InChIKey
NOCMEDZBNWJQDQ-LEWJYISDSA-N
Compound name
(2R,5S)-1-[2-(2-benzhydryloxyethoxy)ethyl]-2,4,5-trimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.26202 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26930 198.5
[M+Na]+ 405.25124 201.0
[M-H]- 381.25474 203.4
[M+NH4]+ 400.29584 206.6
[M+K]+ 421.22518 195.9
[M+H-H2O]+ 365.25928 186.3
[M+HCOO]- 427.26022 212.9
[M+CH3COO]- 441.27587 222.2
[M+Na-2H]- 403.23669 197.2
[M]+ 382.26147 198.1
[M]- 382.26257 198.1
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.