CID 20683

Fenalamide

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCC(C1=CC=CC=C1)(C(=O)NCCN(CC)CC)C(=O)OCC
InChI
InChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)
InChIKey
RMQKPRRJSKFBRU-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

952
Patents

334.22565 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 185.2
[M+Na]+ 357.214868 187.2
[M-H]- 333.218374 188.7
[M+NH4]+ 352.259473 198.7
[M+K]+ 373.188808 186.2
[M+H-H2O]+ 317.222910 177.1
[M+HCOO]- 379.223851 206.5
[M+CH3COO]- 393.239501 219.7
[M+Na-2H]- 355.200316 186.4
[M]+ 334.22510142 189.5
[M]- 334.22619858 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe