CID 3075168

172701-71-2

Structural Information

Molecular Formula
C27H23ClN8O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(O2)C3=NN(C(=C3OC)N=NC4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C27H23ClN8O5S/c1-17(37)30-19-11-13-22(14-12-19)42(38,39)29-16-23-32-34-27(41-23)24-25(40-2)26(33-31-20-8-4-3-5-9-20)36(35-24)21-10-6-7-18(28)15-21/h3-15,29H,16H2,1-2H3,(H,30,37)
InChIKey
DQEZTJAPPXLFPL-UHFFFAOYSA-N
Compound name
N-[4-[[5-[1-(3-chlorophenyl)-4-methoxy-5-phenyldiazenylpyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methylsulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.12006 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.12734 236.8
[M+Na]+ 629.10928 250.3
[M+NH4]+ 624.15388 239.6
[M+K]+ 645.08322 246.3
[M-H]- 605.11278 245.9
[M+Na-2H]- 627.09473 247.6
[M]+ 606.11951 241.8
[M]- 606.12061 241.8
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.