CID 135446537

Shz-1

Structural Information

Molecular Formula

C₁₃H₁₁BrN₂O₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H11BrN2O3S/c14-11-6-7-13(17)10(8-11)9-15-16-20(18,19)12-4-2-1-3-5-12/h1-9,16-17H/b15-9+

InChIKey

OEMCLQLAWYKPRK-OQLLNIDSSA-N

Compound name

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 353.96738 Da
Monoisotopic Mass: 2.9
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]+	354.97466	160.0
[M+Na]+	376.95660	170.9
[M-H]-	352.96010	169.2
[M+NH4]+	372.00120	176.4
[M+K]+	392.93054	157.4
[M+H-H2O]+	336.96464	158.1
[M+HCOO]-	398.96558	178.6
[M+CH3COO]-	412.98123	207.3
[M+Na-2H]-	374.94205	167.7
[M]+	353.96683	180.1
[M]-	353.96793	180.1

Literature stripe

literature stripe

Patent stripe

patents stripe