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

945
Patents

334.22565 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 185.2
[M+Na]+ 357.21487 187.2
[M-H]- 333.21837 188.7
[M+NH4]+ 352.25947 198.7
[M+K]+ 373.18881 186.2
[M+H-H2O]+ 317.22291 177.1
[M+HCOO]- 379.22385 206.5
[M+CH3COO]- 393.23950 219.7
[M+Na-2H]- 355.20032 186.4
[M]+ 334.22510 189.5
[M]- 334.22620 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.