CID 154700012

Ns00117727

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=NN2C3=CC=C(C=C3)O
InChI
InChI=1S/C16H15N3O3S/c1-12-2-8-15(9-3-12)23(21,22)18-16-10-11-17-19(16)13-4-6-14(20)7-5-13/h2-11,18,20H,1H3
InChIKey
VESXFLZNMRMCLI-UHFFFAOYSA-N
Compound name
N-[2-(4-hydroxyphenyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 174.3
[M+Na]+ 352.07262 187.2
[M+NH4]+ 347.11722 180.7
[M+K]+ 368.04656 181.3
[M-H]- 328.07612 178.1
[M+Na-2H]- 350.05807 182.9
[M]+ 329.08285 177.6
[M]- 329.08395 177.6
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.