CID 154699913

Ns00117635

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)CO
InChI
InChI=1S/C16H15N3O3S/c20-12-13-6-8-15(9-7-13)23(21,22)18-16-10-11-17-19(16)14-4-2-1-3-5-14/h1-11,18,20H,12H2
InChIKey
QWBFRRFWEZMWIB-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0834 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 174.1
[M+Na]+ 352.07262 182.6
[M-H]- 328.07612 180.8
[M+NH4]+ 347.11722 186.3
[M+K]+ 368.04656 176.7
[M+H-H2O]+ 312.08066 165.5
[M+HCOO]- 374.08160 191.4
[M+CH3COO]- 388.09725 202.8
[M+Na-2H]- 350.05807 177.9
[M]+ 329.08285 175.9
[M]- 329.08395 175.9
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.