CID 70816270

Schembl12982537

Structural Information

Molecular Formula
C24H30ClN5O3S
SMILES
CC(C1=CC=C(C=C1)CNS(=O)(=O)N)C(=O)NCC2=CC(=NN2C3=CC(=CC=C3)Cl)C(C)(C)C
InChI
InChI=1S/C24H30ClN5O3S/c1-16(18-10-8-17(9-11-18)14-28-34(26,32)33)23(31)27-15-21-13-22(24(2,3)4)29-30(21)20-7-5-6-19(25)12-20/h5-13,16,28H,14-15H2,1-4H3,(H,27,31)(H2,26,32,33)
InChIKey
DACXYKBLLKSFLC-UHFFFAOYSA-N
Compound name
N-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]methyl]-2-[4-[(sulfamoylamino)methyl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

503.17578 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.18306 220.6
[M+Na]+ 526.16500 229.5
[M+NH4]+ 521.20960 224.3
[M+K]+ 542.13894 224.8
[M-H]- 502.16850 223.7
[M+Na-2H]- 524.15045 226.3
[M]+ 503.17523 223.2
[M]- 503.17633 223.2
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

patents stripe