CID 5465072

Nsc633260

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
C/C(=C\1/C=CC=CN1O)/N=NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H13N3O3S/c1-11(13-9-5-6-10-16(13)17)14-15-20(18,19)12-7-3-2-4-8-12/h2-10,17H,1H3/b13-11+,15-14?
InChIKey
ZPUKOOVSPACMGW-RVZACNPWSA-N
Compound name
N-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.06775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07503 163.6
[M+Na]+ 314.05697 170.4
[M-H]- 290.06047 170.3
[M+NH4]+ 309.10157 177.8
[M+K]+ 330.03091 166.6
[M+H-H2O]+ 274.06501 155.1
[M+HCOO]- 336.06595 182.7
[M+CH3COO]- 350.08160 202.2
[M+Na-2H]- 312.04242 169.0
[M]+ 291.06720 164.5
[M]- 291.06830 164.5
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

No patent data available for this compound.