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 203.3
[M+Na]+ 477.11042 212.3
[M-H]- 453.11392 215.2
[M+NH4]+ 472.15502 210.2
[M+K]+ 493.08436 204.0
[M+H-H2O]+ 437.11846 191.8
[M+HCOO]- 499.11940 223.6
[M+CH3COO]- 513.13505 212.4
[M+Na-2H]- 475.09587 212.1
[M]+ 454.12065 206.2
[M]- 454.12175 206.2
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.