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 181.8
[M+Na]+ 342.20397 185.0
[M-H]- 318.20747 183.9
[M+NH4]+ 337.24857 195.8
[M+K]+ 358.17791 182.0
[M+H-H2O]+ 302.21201 173.8
[M+HCOO]- 364.21295 203.1
[M+CH3COO]- 378.22860 212.1
[M+Na-2H]- 340.18942 181.7
[M]+ 319.21420 186.4
[M]- 319.21530 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