CID 2804693

Ns00016351

Structural Information

Molecular Formula
C24H31N3O2S
SMILES
CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C)C)C
InChI
InChI=1S/C24H31N3O2S/c1-15-16(2)18(4)23(19(5)17(15)3)30(28,29)26-22-14-21(24(6,7)8)25-27(22)20-12-10-9-11-13-20/h9-14,26H,1-8H3
InChIKey
NKRMLBSYJZKLCM-UHFFFAOYSA-N
Compound name
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

425.21368 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.220956 206.8
[M+Na]+ 448.202898 216.7
[M-H]- 424.206404 215.6
[M+NH4]+ 443.247503 217.4
[M+K]+ 464.176838 210.4
[M+H-H2O]+ 408.210940 198.4
[M+HCOO]- 470.211881 220.7
[M+CH3COO]- 484.227531 232.6
[M+Na-2H]- 446.188346 204.8
[M]+ 425.21313142 213.2
[M]- 425.21422858 213.2
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.