CID 1151718

Glucose isomerase from streptomyces rubiginosus

Structural Information

Molecular Formula

C₁₇H₁₇ClN₂O₃S

SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17ClN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2

InChIKey

WNQJZQMIEZWFIN-UHFFFAOYSA-N

Compound name

[4-(benzenesulfonyl)piperazin-1-yl]-(2-chlorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 640
Patents: 364.06485 Da
Monoisotopic Mass: 2.6
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]+	365.072126	180.7
[M+Na]+	387.054068	187.6
[M-H]-	363.057574	187.2
[M+NH4]+	382.098673	191.1
[M+K]+	403.028008	181.4
[M+H-H2O]+	347.062110	171.8
[M+HCOO]-	409.063051	187.6
[M+CH3COO]-	423.078701	207.5
[M+Na-2H]-	385.039516	182.2
[M]+	364.06430142	181.0
[M]-	364.06539858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe