CID 9555896

Nsc647714

Structural Information

Molecular Formula
C10H10N4O4S
SMILES
CC1=[N+](ON=C1/C=N/NS(=O)(=O)C2=CC=CC=C2)[O-]
InChI
InChI=1S/C10H10N4O4S/c1-8-10(12-18-14(8)15)7-11-13-19(16,17)9-5-3-2-4-6-9/h2-7,13H,1H3/b11-7+
InChIKey
RKIBFIWUSZXGCO-YRNVUSSQSA-N
Compound name
N-[(E)-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.04227 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04955 158.7
[M+Na]+ 305.03149 167.3
[M-H]- 281.03499 164.7
[M+NH4]+ 300.07609 171.8
[M+K]+ 321.00543 160.0
[M+H-H2O]+ 265.03953 155.4
[M+HCOO]- 327.04047 178.9
[M+CH3COO]- 341.05612 188.9
[M+Na-2H]- 303.01694 167.6
[M]+ 282.04172 160.1
[M]- 282.04282 160.1
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.