CID 135764840

4-aminosalicylaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C8H10N4OS
SMILES
C1=CC(=C(C=C1N)O)/C=N/NC(=S)N
InChI
InChI=1S/C8H10N4OS/c9-6-2-1-5(7(13)3-6)4-11-12-8(10)14/h1-4,13H,9H2,(H3,10,12,14)/b11-4+
InChIKey
ZGJVBYQLWIVHNM-NYYWCZLTSA-N
Compound name
[(E)-(4-amino-2-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05753 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06481 143.9
[M+Na]+ 233.04675 151.5
[M+NH4]+ 228.09135 150.8
[M+K]+ 249.02069 145.5
[M-H]- 209.05025 146.8
[M+Na-2H]- 231.03220 148.5
[M]+ 210.05698 145.7
[M]- 210.05808 145.7
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.