CID 10250560

Amisulpride ep impurity c

Structural Information

Molecular Formula
C15H22IN3O2
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)I
InChI
InChI=1S/C15H22IN3O2/c1-3-19-6-4-5-10(19)9-18-15(20)11-7-12(16)13(17)8-14(11)21-2/h7-8,10H,3-6,9,17H2,1-2H3,(H,18,20)
InChIKey
RYQXFWDVKMXKTF-UHFFFAOYSA-N
Compound name
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.07568 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08296 186.6
[M+Na]+ 426.06490 187.6
[M+NH4]+ 421.10950 188.3
[M+K]+ 442.03884 186.8
[M-H]- 402.06840 182.9
[M+Na-2H]- 424.05035 176.9
[M]+ 403.07513 184.2
[M]- 403.07623 184.2
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.