CID 3057406

74038-16-7

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CC1CN(C(CN1CCOCCOC(C2=CC=CC=C2)C3=CC=CC=C3C)C)C
InChI
InChI=1S/C25H36N2O2/c1-20-10-8-9-13-24(20)25(23-11-6-5-7-12-23)29-17-16-28-15-14-27-19-21(2)26(4)18-22(27)3/h5-13,21-22,25H,14-19H2,1-4H3
InChIKey
KJNYCRIAIGXOML-UHFFFAOYSA-N
Compound name
1,2,5-trimethyl-4-[2-[2-[(2-methylphenyl)-phenylmethoxy]ethoxy]ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.27768 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 203.3
[M+Na]+ 419.26690 216.9
[M+NH4]+ 414.31150 210.2
[M+K]+ 435.24084 207.8
[M-H]- 395.27040 208.7
[M+Na-2H]- 417.25235 210.5
[M]+ 396.27713 206.8
[M]- 396.27823 206.8
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.