CID 3021182

Brn 4613563

Structural Information

Molecular Formula
C26H21ClN6O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C
InChI
InChI=1S/C26H21ClN6O2S/c1-16-15-17(2)29-26(28-16)33-36(34,35)21-13-11-20(12-14-21)31-32-25-22-5-3-4-6-23(22)30-24(25)18-7-9-19(27)10-8-18/h3-15,30H,1-2H3,(H,28,29,33)
InChIKey
HZVQJJJQTXSYRZ-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.1135 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.12078 224.1
[M+Na]+ 539.10272 235.0
[M-H]- 515.10622 236.4
[M+NH4]+ 534.14732 230.1
[M+K]+ 555.07666 225.7
[M+H-H2O]+ 499.11076 212.7
[M+HCOO]- 561.11170 238.8
[M+CH3COO]- 575.12735 232.5
[M+Na-2H]- 537.08817 228.9
[M]+ 516.11295 231.3
[M]- 516.11405 231.3
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.