CID 202346

Brn 0591268

Structural Information

Molecular Formula
C30H46N2O2
SMILES
CCC1=C(C(=CC=C1)CC)C(C2=C(C=CC=C2CC)CC)OCCOCCN3CCN(CC3)C
InChI
InChI=1S/C30H46N2O2/c1-6-24-12-10-13-25(7-2)28(24)30(29-26(8-3)14-11-15-27(29)9-4)34-23-22-33-21-20-32-18-16-31(5)17-19-32/h10-15,30H,6-9,16-23H2,1-5H3
InChIKey
LKAFZYPMWORKEH-UHFFFAOYSA-N
Compound name
1-[2-[2-[bis(2,6-diethylphenyl)methoxy]ethoxy]ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.35593 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.36321 225.0
[M+Na]+ 489.34515 226.6
[M-H]- 465.34865 229.5
[M+NH4]+ 484.38975 230.2
[M+K]+ 505.31909 220.4
[M+H-H2O]+ 449.35319 212.1
[M+HCOO]- 511.35413 237.2
[M+CH3COO]- 525.36978 242.0
[M+Na-2H]- 487.33060 219.1
[M]+ 466.35538 227.4
[M]- 466.35648 227.4
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.