CID 37497

Etidocaine

Structural Information

Molecular Formula
C17H28N2O
SMILES
CCCN(CC)C(CC)C(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)
InChIKey
VTUSIVBDOCDNHS-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

333
References

16052
Patents

276.22015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 171.0
[M+Na]+ 299.20937 180.6
[M+NH4]+ 294.25397 178.0
[M+K]+ 315.18331 174.4
[M-H]- 275.21287 173.9
[M+Na-2H]- 297.19482 175.5
[M]+ 276.21960 173.0
[M]- 276.22070 173.0
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