CID 5287470

N-[4-(aminosulfonyl)benzyl]-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C17H15ClN4O5S
SMILES
C1=CC(=CC=C1CNC(=O)C2=C(NN=C2)C3=CC(=C(C=C3O)O)Cl)S(=O)(=O)N
InChI
InChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27)
InChIKey
OOHYJGNSESWEFT-UHFFFAOYSA-N
Compound name
5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

422.04517 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.05245 192.7
[M+Na]+ 445.03439 200.9
[M-H]- 421.03789 197.2
[M+NH4]+ 440.07899 200.4
[M+K]+ 461.00833 193.6
[M+H-H2O]+ 405.04243 185.6
[M+HCOO]- 467.04337 201.8
[M+CH3COO]- 481.05902 218.1
[M+Na-2H]- 443.01984 192.8
[M]+ 422.04462 194.5
[M]- 422.04572 194.5
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

patents stripe