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]+ 320.258406 184.1
[M+Na]+ 342.240348 186.3
[M-H]- 318.243854 187.5
[M+NH4]+ 337.284953 198.7
[M+K]+ 358.214288 185.0
[M+H-H2O]+ 302.248390 176.4
[M+HCOO]- 364.249331 203.6
[M+CH3COO]- 378.264981 217.2
[M+Na-2H]- 340.225796 184.3
[M]+ 319.25058142 188.9
[M]- 319.25167858 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.