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 207.9
[M+Na]+ 492.05038 216.9
[M-H]- 468.05388 218.9
[M+NH4]+ 487.09498 212.7
[M+K]+ 508.02432 211.0
[M+H-H2O]+ 452.05842 197.6
[M+HCOO]- 514.05936 219.7
[M+CH3COO]- 528.07501 216.6
[M+Na-2H]- 490.03583 210.9
[M]+ 469.06061 213.9
[M]- 469.06171 213.9
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.