CID 16104543

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

Structural Information

Molecular Formula
C22H19N3O4S
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H19N3O4S/c1-15-3-5-16(6-4-15)21-23-24-22(29-21)17-7-9-18(10-8-17)25-30(26,27)20-13-11-19(28-2)12-14-20/h3-14,25H,1-2H3
InChIKey
ADIGEHAVACCXAF-UHFFFAOYSA-N
Compound name
4-methoxy-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

421.10962 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11690 199.7
[M+Na]+ 444.09884 208.9
[M-H]- 420.10234 211.8
[M+NH4]+ 439.14344 207.4
[M+K]+ 460.07278 204.1
[M+H-H2O]+ 404.10688 189.6
[M+HCOO]- 466.10782 217.0
[M+CH3COO]- 480.12347 209.8
[M+Na-2H]- 442.08429 202.5
[M]+ 421.10907 205.2
[M]- 421.11017 205.2
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.