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 238.1
[M+Na]+ 631.07076 247.5
[M-H]- 607.07426 253.6
[M+NH4]+ 626.11536 240.6
[M+K]+ 647.04470 240.3
[M+H-H2O]+ 591.07880 228.2
[M+HCOO]- 653.07974 251.3
[M+CH3COO]- 667.09539 245.5
[M+Na-2H]- 629.05621 241.0
[M]+ 608.08099 248.3
[M]- 608.08209 248.3
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.