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 185.3
[M+Na]+ 358.25909 188.6
[M-H]- 334.26259 189.5
[M+NH4]+ 353.30369 199.6
[M+K]+ 374.23303 181.0
[M+H-H2O]+ 318.26713 180.5
[M+HCOO]- 380.26807 206.3
[M+CH3COO]- 394.28372 216.6
[M+Na-2H]- 356.24454 188.3
[M]+ 335.26932 188.9
[M]- 335.27042 188.9
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.