CID 3021181

Brn 4607194

Structural Information

Molecular Formula
C24H17ClN6O2S
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)N=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5
InChI
InChI=1S/C24H17ClN6O2S/c25-17-8-6-16(7-9-17)22-23(20-4-1-2-5-21(20)28-22)30-29-18-10-12-19(13-11-18)34(32,33)31-24-26-14-3-15-27-24/h1-15,28H,(H,26,27,31)
InChIKey
CUOMMOZRSLRPQK-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.0822 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.08948 212.3
[M+Na]+ 511.07142 222.6
[M-H]- 487.07492 224.3
[M+NH4]+ 506.11602 219.0
[M+K]+ 527.04536 213.6
[M+H-H2O]+ 471.07946 201.0
[M+HCOO]- 533.08040 227.9
[M+CH3COO]- 547.09605 221.1
[M+Na-2H]- 509.05687 219.7
[M]+ 488.08165 218.1
[M]- 488.08275 218.1
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.