CID 9866250

Cp-544439

Structural Information

Molecular Formula
C18H19FN2O6S
SMILES
C1COCCC1(C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F
InChI
InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
InChIKey
ZBRHTUMWSDPCMI-UHFFFAOYSA-N
Compound name
4-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1346
Patents

410.0948 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10208 188.8
[M+Na]+ 433.08402 192.5
[M-H]- 409.08752 195.3
[M+NH4]+ 428.12862 197.8
[M+K]+ 449.05796 190.2
[M+H-H2O]+ 393.09206 179.5
[M+HCOO]- 455.09300 201.6
[M+CH3COO]- 469.10865 218.8
[M+Na-2H]- 431.06947 194.1
[M]+ 410.09425 187.5
[M]- 410.09535 187.5
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