CID 3059770

77234-67-4

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₃S

SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CN2C=CN=C2

InChI

InChI=1S/C12H13N3O3S/c1-19(17,18)14-11-4-2-10(3-5-11)12(16)8-15-7-6-13-9-15/h2-7,9,14H,8H2,1H3

InChIKey

BFYOQCIUAUMPRK-UHFFFAOYSA-N

Compound name

N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 279.06775 Da
Monoisotopic Mass: 0.5
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]+	280.07503	161.3
[M+Na]+	302.05697	171.5
[M+NH4]+	297.10157	167.1
[M+K]+	318.03091	167.0
[M-H]-	278.06047	162.2
[M+Na-2H]-	300.04242	167.3
[M]+	279.06720	163.1
[M]-	279.06830	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe