CID 3021178

Brn 4601262

Structural Information

Molecular Formula
C24H18N6O2S
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)N=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5
InChI
InChI=1S/C24H18N6O2S/c31-33(32,30-24-25-15-6-16-26-24)19-13-11-18(12-14-19)28-29-23-20-9-4-5-10-21(20)27-22(23)17-7-2-1-3-8-17/h1-16,27H,(H,25,26,30)
InChIKey
WMRVEYZSCYAQIM-UHFFFAOYSA-N
Compound name
4-[(2-phenyl-1H-indol-3-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1212 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.12848 202.0
[M+Na]+ 477.11042 217.8
[M+NH4]+ 472.15502 208.6
[M+K]+ 493.08436 209.1
[M-H]- 453.11392 210.6
[M+Na-2H]- 475.09587 215.6
[M]+ 454.12065 207.2
[M]- 454.12175 207.2
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.