CID 135804059

4-phenyl-1-(2,3,4-trihydroxyacetophenone)-3-thiosemicarbazone

Structural Information

Molecular Formula
C15H15N3O3S
SMILES
C/C(=N/NC(=S)NC1=CC=CC=C1)/C2=C(C(=C(C=C2)O)O)O
InChI
InChI=1S/C15H15N3O3S/c1-9(11-7-8-12(19)14(21)13(11)20)17-18-15(22)16-10-5-3-2-4-6-10/h2-8,19-21H,1H3,(H2,16,18,22)/b17-9-
InChIKey
SHTNSUMUGWRNHO-MFOYZWKCSA-N
Compound name
1-phenyl-3-[(Z)-1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09068 171.6
[M+Na]+ 340.07262 180.6
[M+NH4]+ 335.11722 177.4
[M+K]+ 356.04656 174.3
[M-H]- 316.07612 175.1
[M+Na-2H]- 338.05807 177.4
[M]+ 317.08285 173.9
[M]- 317.08395 173.9
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.