CID 3021185

Brn 4610956

Structural Information

Molecular Formula
C26H24N6O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C
InChI
InChI=1S/C26H24N6O2S/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/h3-16,29-31H,1-2H3,(H,27,28,32)
InChIKey
FUFXWAPSSFOQKA-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[2-(2-phenyl-1H-indol-3-yl)hydrazinyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.16815 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.17543 211.4
[M+Na]+ 507.15737 219.7
[M-H]- 483.16087 221.0
[M+NH4]+ 502.20197 216.3
[M+K]+ 523.13131 210.5
[M+H-H2O]+ 467.16541 200.7
[M+HCOO]- 529.16635 227.9
[M+CH3COO]- 543.18200 219.0
[M+Na-2H]- 505.14282 217.6
[M]+ 484.16760 213.3
[M]- 484.16870 213.3
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.