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
1
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]+ 305.18596 173.5
[M+Na]+ 327.16790 178.3
[M-H]- 303.17140 178.5
[M+NH4]+ 322.21250 188.6
[M+K]+ 343.14184 175.7
[M+H-H2O]+ 287.17594 165.4
[M+HCOO]- 349.17688 193.5
[M+CH3COO]- 363.19253 208.2
[M+Na-2H]- 325.15335 171.6
[M]+ 304.17813 174.1
[M]- 304.17923 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

No patent data available for this compound.