CID 7728676

3-phenoxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C16H17N3OS
SMILES
CCNC(=S)N/N=C/C1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C16H17N3OS/c1-2-17-16(21)19-18-12-13-7-6-10-15(11-13)20-14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H2,17,19,21)/b18-12+
InChIKey
IQUIEFHNOSNCAW-LDADJPATSA-N
Compound name
1-ethyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10922 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11650 169.2
[M+Na]+ 322.09844 180.4
[M+NH4]+ 317.14304 177.3
[M+K]+ 338.07238 170.5
[M-H]- 298.10194 175.3
[M+Na-2H]- 320.08389 178.2
[M]+ 299.10867 172.8
[M]- 299.10977 172.8
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.