CID 481332

N-[3-[(3-tert-butyl-1h-pyrazol-5-yl)amino]-2-hydroxy-propyl]-n-isobutyl-benzenesulfonamide

Structural Information

Molecular Formula
C20H32N4O3S
SMILES
CC(C)CN(CC(CNC1=NNC(=C1)C(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H32N4O3S/c1-15(2)13-24(28(26,27)17-9-7-6-8-10-17)14-16(25)12-21-19-11-18(22-23-19)20(3,4)5/h6-11,15-16,25H,12-14H2,1-5H3,(H2,21,22,23)
InChIKey
KBDATMZIFUMOQP-UHFFFAOYSA-N
Compound name
N-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-hydroxypropyl]-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2195 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.22678 198.7
[M+Na]+ 431.20872 201.2
[M-H]- 407.21222 201.1
[M+NH4]+ 426.25332 207.4
[M+K]+ 447.18266 197.7
[M+H-H2O]+ 391.21676 190.4
[M+HCOO]- 453.21770 209.6
[M+CH3COO]- 467.23335 224.7
[M+Na-2H]- 429.19417 198.4
[M]+ 408.21895 200.9
[M]- 408.22005 200.9
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.