CID 3075159

172701-62-1

Structural Information

Molecular Formula
C26H21ClN8O4S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C3=NN(C(=C3OC)N=NC4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C26H21ClN8O4S2/c1-16(36)28-18-11-13-21(14-12-18)41(37,38)34-26-32-31-25(40-26)22-23(39-2)24(30-29-19-8-4-3-5-9-19)35(33-22)20-10-6-7-17(27)15-20/h3-15H,1-2H3,(H,28,36)(H,32,34)
InChIKey
UWFLXLCZDMXUAW-UHFFFAOYSA-N
Compound name
N-[4-[[5-[1-(3-chlorophenyl)-4-methoxy-5-phenyldiazenylpyrazol-3-yl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.08154 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.08882 233.0
[M+Na]+ 631.07076 246.2
[M+NH4]+ 626.11536 237.0
[M+K]+ 647.04470 239.7
[M-H]- 607.07426 241.4
[M+Na-2H]- 629.05621 244.8
[M]+ 608.08099 238.2
[M]- 608.08209 238.2
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.