CID 207305

29620-40-4

Structural Information

Molecular Formula
C20H33NO2
SMILES
CCC(C)C(CC)(C1=CC=CC=C1)C(=O)OCCN(CC)CC
InChI
InChI=1S/C20H33NO2/c1-6-17(5)20(7-2,18-13-11-10-12-14-18)19(22)23-16-15-21(8-3)9-4/h10-14,17H,6-9,15-16H2,1-5H3
InChIKey
BIPSMQSSYGXNLC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-ethyl-3-methyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.25113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.25841 184.1
[M+Na]+ 342.24035 186.3
[M-H]- 318.24385 187.5
[M+NH4]+ 337.28495 198.7
[M+K]+ 358.21429 185.0
[M+H-H2O]+ 302.24839 176.4
[M+HCOO]- 364.24933 203.6
[M+CH3COO]- 378.26498 217.2
[M+Na-2H]- 340.22580 184.3
[M]+ 319.25058 188.9
[M]- 319.25168 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.