CID 135650165

879576-22-4

Structural Information

Molecular Formula
C22H24N4O4S
SMILES
CC1=C(C(=CC=C1)C2=NNC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)O
InChI
InChI=1S/C22H24N4O4S/c1-15-6-5-7-18(21(15)27)19-14-20(25-24-19)22(28)23-16-8-10-17(11-9-16)31(29,30)26-12-3-2-4-13-26/h5-11,14,27H,2-4,12-13H2,1H3,(H,23,28)(H,24,25)
InChIKey
UYSRWYGHALHLAZ-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-3-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

440.15182 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15910 200.3
[M+Na]+ 463.14104 210.9
[M+NH4]+ 458.18564 204.5
[M+K]+ 479.11498 206.3
[M-H]- 439.14454 204.0
[M+Na-2H]- 461.12649 207.4
[M]+ 440.15127 202.9
[M]- 440.15237 202.9
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

patents stripe