CID 208489

T 2434

Structural Information

Molecular Formula
C20H34NO3
SMILES
CC[N+](C)(CC)CCCOC(=O)COC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C20H34NO3/c1-7-21(6,8-2)12-9-13-23-20(22)15-24-19-14-17(5)10-11-18(19)16(3)4/h10-11,14,16H,7-9,12-13,15H2,1-6H3/q+1
InChIKey
VSPBMJFGPJIIIW-UHFFFAOYSA-N
Compound name
diethyl-methyl-[3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.25388 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.26116 185.0
[M+Na]+ 359.24310 189.2
[M-H]- 335.24660 189.3
[M+NH4]+ 354.28770 199.6
[M+K]+ 375.21704 182.2
[M+H-H2O]+ 319.25114 180.5
[M+HCOO]- 381.25208 205.3
[M+CH3COO]- 395.26773 213.7
[M+Na-2H]- 357.22855 187.7
[M]+ 336.25333 190.8
[M]- 336.25443 190.8
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.