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 154.9
[M+Na]+ 278.05698 160.7
[M-H]- 254.06048 157.5
[M+NH4]+ 273.10158 170.5
[M+K]+ 294.03092 157.1
[M+H-H2O]+ 238.06502 148.0
[M+HCOO]- 300.06596 173.0
[M+CH3COO]- 314.08161 196.9
[M+Na-2H]- 276.04243 156.6
[M]+ 255.06721 152.7
[M]- 255.06831 152.7
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.