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 203.1
[M+Na]+ 419.26690 206.1
[M-H]- 395.27040 208.3
[M+NH4]+ 414.31150 211.0
[M+K]+ 435.24084 200.9
[M+H-H2O]+ 379.27494 191.0
[M+HCOO]- 441.27588 217.2
[M+CH3COO]- 455.29153 226.3
[M+Na-2H]- 417.25235 200.5
[M]+ 396.27713 203.5
[M]- 396.27823 203.5
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.