CID 135450452

Nsc687818

Structural Information

Molecular Formula
C10H10N4O4S
SMILES
C1C(=O)NC(=NNS(=O)(=O)C2=CC=CC=C2)NC1=O
InChI
InChI=1S/C10H10N4O4S/c15-8-6-9(16)12-10(11-8)13-14-19(17,18)7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,11,12,13,15,16)
InChIKey
YGWSIPWLJPQTIY-UHFFFAOYSA-N
Compound name
N-[(4,6-dioxo-1,3-diazinan-2-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.04227 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04955 159.1
[M+Na]+ 305.03149 165.4
[M-H]- 281.03499 161.4
[M+NH4]+ 300.07609 170.7
[M+K]+ 321.00543 160.2
[M+H-H2O]+ 265.03953 151.1
[M+HCOO]- 327.04047 173.4
[M+CH3COO]- 341.05612 194.7
[M+Na-2H]- 303.01694 164.0
[M]+ 282.04172 154.7
[M]- 282.04282 154.7
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

No patent data available for this compound.