CID 3074713

160857-64-7

Structural Information

Molecular Formula
C21H20ClN5O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C3=NN=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H20ClN5O4S/c1-14(28)23-18-6-8-19(9-7-18)32(29,30)26-27-12-10-16(11-13-27)21-25-24-20(31-21)15-2-4-17(22)5-3-15/h2-10,26H,11-13H2,1H3,(H,23,28)
InChIKey
KUBAWDKHYOSDOA-UHFFFAOYSA-N
Compound name
N-[4-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.09244 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.09972 208.6
[M+Na]+ 496.08166 215.6
[M-H]- 472.08516 218.7
[M+NH4]+ 491.12626 213.1
[M+K]+ 512.05560 210.1
[M+H-H2O]+ 456.08970 198.4
[M+HCOO]- 518.09064 217.7
[M+CH3COO]- 532.10629 216.3
[M+Na-2H]- 494.06711 210.0
[M]+ 473.09189 212.0
[M]- 473.09299 212.0
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.