CID 91587

Probenazole

Structural Information

Molecular Formula
C10H9NO3S
SMILES
C=CCOC1=NS(=O)(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2
InChIKey
WHHIPMZEDGBUCC-UHFFFAOYSA-N
Compound name
3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

39451
Patents

223.03032 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03760 143.4
[M+Na]+ 246.01954 155.6
[M-H]- 222.02304 147.8
[M+NH4]+ 241.06414 166.3
[M+K]+ 261.99348 152.0
[M+H-H2O]+ 206.02758 138.5
[M+HCOO]- 268.02852 163.2
[M+CH3COO]- 282.04417 183.0
[M+Na-2H]- 244.00499 148.8
[M]+ 223.02977 149.6
[M]- 223.03087 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe