CID 3021179

Brn 4608262

Structural Information

Molecular Formula
C26H22N6O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C
InChI
InChI=1S/C26H22N6O2S/c1-17-16-18(2)28-26(27-17)32-35(33,34)21-14-12-20(13-15-21)30-31-25-22-10-6-7-11-23(22)29-24(25)19-8-4-3-5-9-19/h3-16,29H,1-2H3,(H,27,28,32)
InChIKey
UNEZKUFEEBIWDT-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-phenyl-1H-indol-3-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1525 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.15978 212.8
[M+Na]+ 505.14172 228.9
[M+NH4]+ 500.18632 219.0
[M+K]+ 521.11566 220.0
[M-H]- 481.14522 221.5
[M+Na-2H]- 503.12717 225.4
[M]+ 482.15195 218.1
[M]- 482.15305 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.