CID 2823865

4-(4-ethoxycarbonylphenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=S)NN
InChI
InChI=1S/C10H13N3O2S/c1-2-15-9(14)7-3-5-8(6-4-7)12-10(16)13-11/h3-6H,2,11H2,1H3,(H2,12,13,16)
InChIKey
AFWIXYFUAGZASP-UHFFFAOYSA-N
Compound name
ethyl 4-(aminocarbamothioylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

239.07285 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 152.8
[M+Na]+ 262.06207 160.4
[M+NH4]+ 257.10667 159.3
[M+K]+ 278.03601 154.3
[M-H]- 238.06557 154.7
[M+Na-2H]- 260.04752 157.0
[M]+ 239.07230 154.3
[M]- 239.07340 154.3
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.