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

2
Patents

335.24603 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.25331 185.2
[M+Na]+ 358.23525 189.2
[M-H]- 334.23875 189.4
[M+NH4]+ 353.27985 199.8
[M+K]+ 374.20919 188.7
[M+H-H2O]+ 318.24329 177.9
[M+HCOO]- 380.24423 205.0
[M+CH3COO]- 394.25988 221.6
[M+Na-2H]- 356.22070 184.3
[M]+ 335.24548 192.3
[M]- 335.24658 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.