CID 64939

Sulfametrole

Structural Information

Molecular Formula
C9H10N4O3S2
SMILES
COC1=NSN=C1NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H10N4O3S2/c1-16-9-8(11-17-12-9)13-18(14,15)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H,11,13)
InChIKey
IZOYMGQQVNAMHS-UHFFFAOYSA-N
Compound name
4-amino-N-(4-methoxy-1,2,5-thiadiazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

1851
Patents

286.01944 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.026716 159.3
[M+Na]+ 309.008658 169.1
[M-H]- 285.012164 163.7
[M+NH4]+ 304.053263 174.0
[M+K]+ 324.982598 163.9
[M+H-H2O]+ 269.016700 152.1
[M+HCOO]- 331.017641 173.6
[M+CH3COO]- 345.033291 197.3
[M+Na-2H]- 306.994106 162.4
[M]+ 286.01889142 162.0
[M]- 286.01998858 162.0
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