CID 208465

T 2440

Structural Information

Molecular Formula
C20H35N2O2
SMILES
CC[N+](C)(CC)CCCNC(=O)COC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C20H34N2O2/c1-7-22(6,8-2)13-9-12-21-20(23)15-24-19-14-17(5)10-11-18(19)16(3)4/h10-11,14,16H,7-9,12-13,15H2,1-6H3/p+1
InChIKey
OPLDAQXCTVDVGW-UHFFFAOYSA-O
Compound name
diethyl-methyl-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.26987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.27715 184.6
[M+Na]+ 358.25909 195.5
[M+NH4]+ 353.30369 191.9
[M+K]+ 374.23303 189.8
[M-H]- 334.26259 188.3
[M+Na-2H]- 356.24454 189.5
[M]+ 335.26932 187.5
[M]- 335.27042 187.5
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.