CID 100912651

N-(4-chloro-3-methyl-oxazol-5-yl)-2-[2-(6-methylbenzo[1,3]dioxol-5-yl)acetyl]thiophene-3-sulfonamide

Structural Information

Molecular Formula
C18H17ClN2O6S2
SMILES
CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(N(CO4)C)Cl)OCO2
InChI
InChI=1S/C18H17ClN2O6S2/c1-10-5-13-14(27-9-26-13)7-11(10)6-12(22)16-15(3-4-28-16)29(23,24)20-18-17(19)21(2)8-25-18/h3-5,7,20H,6,8-9H2,1-2H3
InChIKey
JBACHGJNJDGFGL-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-methyl-2H-1,3-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.02167 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.02895 201.8
[M+Na]+ 479.01089 211.3
[M+NH4]+ 474.05549 207.6
[M+K]+ 494.98483 209.6
[M-H]- 455.01439 208.0
[M+Na-2H]- 476.99634 203.0
[M]+ 456.02112 206.0
[M]- 456.02222 206.0
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.