CID 120592

Sch 1208

Structural Information

Molecular Formula
C20H33NO3
SMILES
CCN(CC)CCOC(=O)C(C)(C)OC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C20H33NO3/c1-8-21(9-2)12-13-23-19(22)20(6,7)24-18-14-16(5)10-11-17(18)15(3)4/h10-11,14-15H,8-9,12-13H2,1-7H3
InChIKey
VJGPZNJYSQTFED-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.24603 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.253306 185.2
[M+Na]+ 358.235248 189.2
[M-H]- 334.238754 189.4
[M+NH4]+ 353.279853 199.8
[M+K]+ 374.209188 188.7
[M+H-H2O]+ 318.243290 177.9
[M+HCOO]- 380.244231 205.0
[M+CH3COO]- 394.259881 221.6
[M+Na-2H]- 356.220696 184.3
[M]+ 335.24548142 192.3
[M]- 335.24657858 192.3
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.