CID 168720535

Cqsreulphousfx-uhfffaoysa-n

Structural Information

Molecular Formula
C10H13N3O3S
SMILES
CC(=CC(=NS(=O)(=O)C1=CC=C(C=C1)N)N)O
InChI
InChI=1S/C10H13N3O3S/c1-7(14)6-10(12)13-17(15,16)9-4-2-8(11)3-5-9/h2-6,14H,11H2,1H3,(H2,12,13)
InChIKey
CQSREULPHOUSFX-UHFFFAOYSA-N
Compound name
N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06776 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07504 155.6
[M+Na]+ 278.05698 162.1
[M+NH4]+ 273.10158 160.6
[M+K]+ 294.03092 157.9
[M-H]- 254.06048 155.7
[M+Na-2H]- 276.04243 158.7
[M]+ 255.06721 156.4
[M]- 255.06831 156.4
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.