CID 120455

Brn 0623673

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CN1CCN(CC1)CCOCCOCCOC2=CC=CC=C2OC
InChI
InChI=1S/C18H30N2O4/c1-19-7-9-20(10-8-19)11-12-22-13-14-23-15-16-24-18-6-4-3-5-17(18)21-2/h3-6H,7-16H2,1-2H3
InChIKey
OSQRCARZSSSZJK-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 182.9
[M+Na]+ 361.20977 186.0
[M-H]- 337.21327 184.9
[M+NH4]+ 356.25437 193.2
[M+K]+ 377.18371 183.7
[M+H-H2O]+ 321.21781 172.2
[M+HCOO]- 383.21875 199.6
[M+CH3COO]- 397.23440 210.7
[M+Na-2H]- 359.19522 184.5
[M]+ 338.22000 186.5
[M]- 338.22110 186.5
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.