CID 169501957

Hydroxyamisulpride c1

Structural Information

Molecular Formula
C17H27N3O5S
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C(=C2OC)O)N)S(=O)(=O)CC
InChI
InChI=1S/C17H27N3O5S/c1-4-20-8-6-7-11(20)10-19-17(22)12-9-13(26(23,24)5-2)14(18)15(21)16(12)25-3/h9,11,21H,4-8,10,18H2,1-3H3,(H,19,22)
InChIKey
KQDNPESLLPNPEC-UHFFFAOYSA-N
Compound name
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-3-hydroxy-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

385.16714 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.174416 189.7
[M+Na]+ 408.156358 194.9
[M-H]- 384.159864 193.3
[M+NH4]+ 403.200963 201.0
[M+K]+ 424.130298 191.1
[M+H-H2O]+ 368.164400 182.6
[M+HCOO]- 430.165341 203.1
[M+CH3COO]- 444.180991 220.3
[M+Na-2H]- 406.141806 186.6
[M]+ 385.16659142 192.1
[M]- 385.16768858 192.1
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

No patent data available for this compound.