CID 16104542

4-methyl-n-[4-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C22H19N3O3S
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C22H19N3O3S/c1-15-3-7-17(8-4-15)21-23-24-22(28-21)18-9-11-19(12-10-18)25-29(26,27)20-13-5-16(2)6-14-20/h3-14,25H,1-2H3
InChIKey
BFJBORIYBUQAKR-UHFFFAOYSA-N
Compound name
4-methyl-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.11472 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12200 196.8
[M+Na]+ 428.10394 206.5
[M-H]- 404.10744 209.0
[M+NH4]+ 423.14854 205.4
[M+K]+ 444.07788 200.9
[M+H-H2O]+ 388.11198 187.0
[M+HCOO]- 450.11292 214.0
[M+CH3COO]- 464.12857 207.2
[M+Na-2H]- 426.08939 199.3
[M]+ 405.11417 201.1
[M]- 405.11527 201.1
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.