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

7
Patents

319.21475 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 181.2
[M+Na]+ 342.20397 190.2
[M+NH4]+ 337.24857 186.6
[M+K]+ 358.17791 183.3
[M-H]- 318.20747 182.0
[M+Na-2H]- 340.18942 184.4
[M]+ 319.21420 182.3
[M]- 319.21530 182.3
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

patents stripe