CID 9562988

4-ethoxybenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C10H13N3OS
SMILES
CCOC1=CC=C(C=C1)/C=N/NC(=S)N
InChI
InChI=1S/C10H13N3OS/c1-2-14-9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,2H2,1H3,(H3,11,13,15)/b12-7+
InChIKey
DMNXZOIAXPUZKV-KPKJPENVSA-N
Compound name
[(E)-(4-ethoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

223.07793 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 148.1
[M+Na]+ 246.06715 154.2
[M-H]- 222.07065 152.5
[M+NH4]+ 241.11175 166.3
[M+K]+ 262.04109 150.9
[M+H-H2O]+ 206.07519 140.6
[M+HCOO]- 268.07613 170.2
[M+CH3COO]- 282.09178 195.8
[M+Na-2H]- 244.05260 151.3
[M]+ 223.07738 148.5
[M]- 223.07848 148.5
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.