CID 449096

N-hydroxy-4-(methyl{[5-(2-pyridinyl)-2-thienyl]sulfonyl}amino)benzamide

Structural Information

Molecular Formula
C17H15N3O4S2
SMILES
CN(C1=CC=C(C=C1)C(=O)NO)S(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3
InChI
InChI=1S/C17H15N3O4S2/c1-20(13-7-5-12(6-8-13)17(21)19-22)26(23,24)16-10-9-15(25-16)14-4-2-3-11-18-14/h2-11,22H,1H3,(H,19,21)
InChIKey
LFGYSFPVLMPUPE-UHFFFAOYSA-N
Compound name
N-hydroxy-4-[methyl-(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

389.05038 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.05766 187.8
[M+Na]+ 412.03960 194.6
[M-H]- 388.04310 196.4
[M+NH4]+ 407.08420 199.1
[M+K]+ 428.01354 189.4
[M+H-H2O]+ 372.04764 179.8
[M+HCOO]- 434.04858 201.3
[M+CH3COO]- 448.06423 217.1
[M+Na-2H]- 410.02505 189.9
[M]+ 389.04983 191.0
[M]- 389.05093 191.0
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

patents stripe