CID 120408

Brn 2298946

Structural Information

Molecular Formula
C22H39NO4
SMILES
CCN(CC)CCOCCOCCOCCOC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C22H39NO4/c1-6-23(7-2)10-11-24-12-13-25-14-15-26-16-17-27-22-18-20(5)8-9-21(22)19(3)4/h8-9,18-19H,6-7,10-17H2,1-5H3
InChIKey
WJCSTYNOBZHEQN-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2879 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.29518 200.1
[M+Na]+ 404.27712 202.4
[M-H]- 380.28062 203.2
[M+NH4]+ 399.32172 212.5
[M+K]+ 420.25106 201.5
[M+H-H2O]+ 364.28516 191.0
[M+HCOO]- 426.28610 221.6
[M+CH3COO]- 440.30175 229.6
[M+Na-2H]- 402.26257 198.2
[M]+ 381.28735 211.1
[M]- 381.28845 211.1
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.