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 215.3
[M+Na]+ 505.14172 224.8
[M-H]- 481.14522 227.4
[M+NH4]+ 500.18632 221.4
[M+K]+ 521.11566 216.3
[M+H-H2O]+ 465.14976 203.5
[M+HCOO]- 527.15070 234.7
[M+CH3COO]- 541.16635 223.9
[M+Na-2H]- 503.12717 221.4
[M]+ 482.15195 219.6
[M]- 482.15305 219.6
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.