CID 135771943

Chembl395237

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
C/C(=N\NC(=S)NO)/C1=CC=CC=C1O
InChI
InChI=1S/C9H11N3O2S/c1-6(10-11-9(15)12-14)7-4-2-3-5-8(7)13/h2-5,13-14H,1H3,(H2,11,12,15)/b10-6+
InChIKey
NRHRBYIHXHIQNU-UXBLZVDNSA-N
Compound name
1-hydroxy-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.0572 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 147.6
[M+Na]+ 248.04642 152.9
[M-H]- 224.04992 149.9
[M+NH4]+ 243.09102 164.4
[M+K]+ 264.02036 149.4
[M+H-H2O]+ 208.05446 140.7
[M+HCOO]- 270.05540 166.8
[M+CH3COO]- 284.07105 191.0
[M+Na-2H]- 246.03187 150.4
[M]+ 225.05665 145.6
[M]- 225.05775 145.6
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.