CID 70650729

148516-54-5

Structural Information

Molecular Formula
C16H25N3O4S
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2O)N)S(=O)(=O)CC
InChI
InChI=1S/C16H25N3O4S/c1-3-19-7-5-6-11(19)10-18-16(21)12-8-15(24(22,23)4-2)13(17)9-14(12)20/h8-9,11,20H,3-7,10,17H2,1-2H3,(H,18,21)
InChIKey
XBIBUXBARDPHCJ-UHFFFAOYSA-N
Compound name
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

355.1566 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.163876 183.0
[M+Na]+ 378.145818 188.2
[M-H]- 354.149324 186.4
[M+NH4]+ 373.190423 195.4
[M+K]+ 394.119758 183.8
[M+H-H2O]+ 338.153860 175.9
[M+HCOO]- 400.154801 196.6
[M+CH3COO]- 414.170451 213.7
[M+Na-2H]- 376.131266 180.5
[M]+ 355.15605142 183.2
[M]- 355.15714858 183.2
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

patents stripe