CID 2745481

Maybridge1_008687

Structural Information

Molecular Formula

C₁₇H₁₄ClN₃O₃S

SMILES

CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3O3S/c1-12(17-11-16(20-24-17)13-5-3-2-4-6-13)19-21-25(22,23)15-9-7-14(18)8-10-15/h2-11,21H,1H3

InChIKey

WQNDHXINOVHPEU-UHFFFAOYSA-N

Compound name

4-chloro-N-[1-(3-phenyl-1,2-oxazol-5-yl)ethylideneamino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 375.04443 Da
Monoisotopic Mass: 3.8
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]+	376.051706	186.8
[M+Na]+	398.033648	195.7
[M-H]-	374.037154	198.1
[M+NH4]+	393.078253	199.1
[M+K]+	414.007588	190.9
[M+H-H2O]+	358.041690	178.6
[M+HCOO]-	420.042631	202.7
[M+CH3COO]-	434.058281	216.0
[M+Na-2H]-	396.019096	190.4
[M]+	375.04388142	192.8
[M]-	375.04497858	192.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.