CID 168720538

Xbarcrplfmihfp-uhfffaoysa-n

Structural Information

Molecular Formula
C10H13N3O4S
SMILES
CC(=CC(=NS(=O)(=O)C1=C(C=C(C=C1)N)O)N)O
InChI
InChI=1S/C10H13N3O4S/c1-6(14)4-10(12)13-18(16,17)9-3-2-7(11)5-8(9)15/h2-5,14-15H,11H2,1H3,(H2,12,13)
InChIKey
XBARCRPLFMIHFP-UHFFFAOYSA-N
Compound name
N'-(4-amino-2-hydroxyphenyl)sulfonyl-3-hydroxybut-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06268 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06996 157.7
[M+Na]+ 294.05190 163.5
[M-H]- 270.05540 159.0
[M+NH4]+ 289.09650 171.9
[M+K]+ 310.02584 159.8
[M+H-H2O]+ 254.05994 150.9
[M+HCOO]- 316.06088 174.4
[M+CH3COO]- 330.07653 198.4
[M+Na-2H]- 292.03735 158.4
[M]+ 271.06213 155.3
[M]- 271.06323 155.3
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

No patent data available for this compound.