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]+ 386.17442 189.7
[M+Na]+ 408.15636 194.9
[M-H]- 384.15986 193.3
[M+NH4]+ 403.20096 201.0
[M+K]+ 424.13030 191.1
[M+H-H2O]+ 368.16440 182.6
[M+HCOO]- 430.16534 203.1
[M+CH3COO]- 444.18099 220.3
[M+Na-2H]- 406.14181 186.6
[M]+ 385.16659 192.1
[M]- 385.16769 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.