CID 135771941

Chembl394567

Structural Information

Molecular Formula
C8H9N3O2S
SMILES
C1=CC(=CC=C1/C=N/NC(=S)NO)O
InChI
InChI=1S/C8H9N3O2S/c12-7-3-1-6(2-4-7)5-9-10-8(14)11-13/h1-5,12-13H,(H2,10,11,14)/b9-5+
InChIKey
MHYPNAGSBTTXPL-WEVVVXLNSA-N
Compound name
1-hydroxy-3-[(E)-(4-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.04155 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04883 142.3
[M+Na]+ 234.03077 148.3
[M-H]- 210.03427 144.6
[M+NH4]+ 229.07537 159.7
[M+K]+ 250.00471 144.5
[M+H-H2O]+ 194.03881 135.5
[M+HCOO]- 256.03975 162.8
[M+CH3COO]- 270.05540 187.0
[M+Na-2H]- 232.01622 146.7
[M]+ 211.04100 140.6
[M]- 211.04210 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.