CID 135777882

3-ethoxy-4-hydroxybenzaldehyde n-cyclohexylthiosemicarbazone

Structural Information

Molecular Formula
C16H23N3O2S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=S)NC2CCCCC2)O
InChI
InChI=1S/C16H23N3O2S/c1-2-21-15-10-12(8-9-14(15)20)11-17-19-16(22)18-13-6-4-3-5-7-13/h8-11,13,20H,2-7H2,1H3,(H2,18,19,22)/b17-11+
InChIKey
CWOMOQNROQZPFC-GZTJUZNOSA-N
Compound name
1-cyclohexyl-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1511 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.158376 173.5
[M+Na]+ 344.140318 175.7
[M-H]- 320.143824 178.6
[M+NH4]+ 339.184923 186.9
[M+K]+ 360.114258 171.3
[M+H-H2O]+ 304.148360 165.0
[M+HCOO]- 366.149301 190.4
[M+CH3COO]- 380.164951 211.6
[M+Na-2H]- 342.125766 174.3
[M]+ 321.15055142 170.5
[M]- 321.15164858 170.5
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.