CID 3075158

172701-61-0

Structural Information

Molecular Formula
C28H26ClN9O4S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C3=NN(C(=C3OC)N=NC4=CC=C(C=C4)N(C)C)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C28H26ClN9O4S2/c1-17(39)30-19-10-14-23(15-11-19)44(40,41)36-28-34-33-27(43-28)24-25(42-4)26(38(35-24)22-7-5-6-18(29)16-22)32-31-20-8-12-21(13-9-20)37(2)3/h5-16H,1-4H3,(H,30,39)(H,34,36)
InChIKey
FAXXSJLSCXXYFA-UHFFFAOYSA-N
Compound name
N-[4-[[5-[1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazol-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

651.1238 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.13108 243.0
[M+Na]+ 674.11302 254.9
[M+NH4]+ 669.15762 246.2
[M+K]+ 690.08696 249.2
[M-H]- 650.11652 251.8
[M+Na-2H]- 672.09847 254.4
[M]+ 651.12325 248.0
[M]- 651.12435 248.0
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.