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
3
Annotation Hits

0
References

730
Patents

364.06485 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07213 179.9
[M+Na]+ 387.05407 193.9
[M+NH4]+ 382.09867 187.0
[M+K]+ 403.02801 185.0
[M-H]- 363.05757 183.7
[M+Na-2H]- 385.03952 188.5
[M]+ 364.06430 183.7
[M]- 364.06540 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe