CID 135706244

2,4-dihydroxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CCNC(=S)N/N=C/C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-3-4-8(14)5-9(7)15/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+
InChIKey
BOUUUWDFYPBCSM-WUXMJOGZSA-N
Compound name
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.080126 151.3
[M+Na]+ 262.062068 157.3
[M-H]- 238.065574 153.6
[M+NH4]+ 257.106673 167.9
[M+K]+ 278.036008 153.0
[M+H-H2O]+ 222.070110 144.3
[M+HCOO]- 284.071051 171.1
[M+CH3COO]- 298.086701 194.3
[M+Na-2H]- 260.047516 154.0
[M]+ 239.07230142 150.6
[M]- 239.07339858 150.6
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.