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]+ 470.068436 207.9
[M+Na]+ 492.050378 216.9
[M-H]- 468.053884 218.9
[M+NH4]+ 487.094983 212.7
[M+K]+ 508.024318 211.0
[M+H-H2O]+ 452.058420 197.6
[M+HCOO]- 514.059361 219.7
[M+CH3COO]- 528.075011 216.6
[M+Na-2H]- 490.035826 210.9
[M]+ 469.06061142 213.9
[M]- 469.06170858 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.