CID 3060935

C 4258

Structural Information

Molecular Formula
C20H33NO2
SMILES
CCC(CC)C(C1=CC=CC=C1)C(=O)OCCCN(CC)CC
InChI
InChI=1S/C20H33NO2/c1-5-17(6-2)19(18-13-10-9-11-14-18)20(22)23-16-12-15-21(7-3)8-4/h9-11,13-14,17,19H,5-8,12,15-16H2,1-4H3
InChIKey
XRLRXQCGFOFVNG-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 3-ethyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.25113 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.258406 185.7
[M+Na]+ 342.240348 187.2
[M-H]- 318.243854 188.8
[M+NH4]+ 337.284953 200.1
[M+K]+ 358.214288 185.9
[M+H-H2O]+ 302.248390 177.4
[M+HCOO]- 364.249331 205.7
[M+CH3COO]- 378.264981 217.7
[M+Na-2H]- 340.225796 183.7
[M]+ 319.25058142 190.3
[M]- 319.25167858 190.3
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.