CID 3006282

Chembl347675

Structural Information

Molecular Formula
C25H28N4O2S
SMILES
CC1=CC(=CC=C1)C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(NN=C4C(=C3)NCC(C)C)C
InChI
InChI=1S/C25H28N4O2S/c1-16(2)15-26-24-14-21(13-23-18(4)27-28-25(23)24)29-32(30,31)22-10-6-9-20(12-22)19-8-5-7-17(3)11-19/h5-14,16,26,29H,15H2,1-4H3,(H,27,28)
InChIKey
MPXLSSDXOMOHKZ-UHFFFAOYSA-N
Compound name
N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.1933 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.20058 208.9
[M+Na]+ 471.18252 216.9
[M-H]- 447.18602 216.6
[M+NH4]+ 466.22712 217.5
[M+K]+ 487.15646 209.0
[M+H-H2O]+ 431.19056 199.7
[M+HCOO]- 493.19150 223.9
[M+CH3COO]- 507.20715 217.2
[M+Na-2H]- 469.16797 210.6
[M]+ 448.19275 212.7
[M]- 448.19385 212.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.