CID 978640

3-(2-chlorophenyl)-5-methyl-n-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

Structural Information

Molecular Formula
C21H16ClN5O4S
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4
InChI
InChI=1S/C21H16ClN5O4S/c1-13-18(19(26-31-13)16-5-2-3-6-17(16)22)20(28)25-14-7-9-15(10-8-14)32(29,30)27-21-23-11-4-12-24-21/h2-12H,1H3,(H,25,28)(H,23,24,27)
InChIKey
VFBCVZPRIVFGPB-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.06116 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.06844 206.0
[M+Na]+ 492.05038 220.6
[M+NH4]+ 487.09498 210.9
[M+K]+ 508.02432 214.5
[M-H]- 468.05388 213.0
[M+Na-2H]- 490.03583 215.9
[M]+ 469.06061 210.7
[M]- 469.06171 210.7
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.