CID 289856

Ethyl 4-(decanoylamino)benzoate

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C19H29NO3/c1-3-5-6-7-8-9-10-11-18(21)20-17-14-12-16(13-15-17)19(22)23-4-2/h12-15H,3-11H2,1-2H3,(H,20,21)
InChIKey
PKASJUFEBCSLNO-UHFFFAOYSA-N
Compound name
ethyl 4-(decanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

319.21475 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 181.8
[M+Na]+ 342.203968 185.0
[M-H]- 318.207474 183.9
[M+NH4]+ 337.248573 195.8
[M+K]+ 358.177908 182.0
[M+H-H2O]+ 302.212010 173.8
[M+HCOO]- 364.212951 203.1
[M+CH3COO]- 378.228601 212.1
[M+Na-2H]- 340.189416 181.7
[M]+ 319.21420142 186.4
[M]- 319.21529858 186.4
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

patents stripe