CID 169501943

Amisulpride metabolite c4

Structural Information

Molecular Formula
C17H25N3O5S
SMILES
CCN1CCCC1C(=O)NC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
InChI
InChI=1S/C17H25N3O5S/c1-4-20-8-6-7-13(20)17(22)19-16(21)11-9-15(26(23,24)5-2)12(18)10-14(11)25-3/h9-10,13H,4-8,18H2,1-3H3,(H,19,21,22)
InChIKey
JYARCVCGERLAIC-UHFFFAOYSA-N
Compound name
N-(4-amino-5-ethylsulfonyl-2-methoxybenzoyl)-1-ethylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1515 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15878 189.3
[M+Na]+ 406.14072 194.9
[M+NH4]+ 401.18532 192.6
[M+K]+ 422.11466 192.7
[M-H]- 382.14422 189.0
[M+Na-2H]- 404.12617 190.4
[M]+ 383.15095 189.8
[M]- 383.15205 189.8
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.