CID 152190

Flammacerium

Structural Information

Molecular Formula

C₁₀H₉N₃O₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

InChI

InChI=1S/C10H9N3O2S/c14-16(15,9-5-2-1-3-6-9)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)

InChIKey

HLBLNLYCFFWMFF-UHFFFAOYSA-N

Compound name

N-pyrimidin-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 276
Patents: 235.04155 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.048826	148.2
[M+Na]+	258.030768	157.0
[M-H]-	234.034274	152.6
[M+NH4]+	253.075373	163.1
[M+K]+	274.004708	152.6
[M+H-H2O]+	218.038810	140.0
[M+HCOO]-	280.039751	166.5
[M+CH3COO]-	294.055401	186.9
[M+Na-2H]-	256.016216	156.6
[M]+	235.04100142	149.1
[M]-	235.04209858	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe