CID 3085389

Etacepride

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)C(=O)C)OC
InChI
InChI=1S/C17H24N2O3/c1-4-19-9-5-6-14(19)11-18-17(21)15-10-13(12(2)20)7-8-16(15)22-3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,18,21)
InChIKey
SOQLNFHOYKNPDY-UHFFFAOYSA-N
Compound name
5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

304.17868 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 173.5
[M+Na]+ 327.167898 178.3
[M-H]- 303.171404 178.5
[M+NH4]+ 322.212503 188.6
[M+K]+ 343.141838 175.7
[M+H-H2O]+ 287.175940 165.4
[M+HCOO]- 349.176881 193.5
[M+CH3COO]- 363.192531 208.2
[M+Na-2H]- 325.153346 171.6
[M]+ 304.17813142 174.1
[M]- 304.17922858 174.1
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