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]+ 322.15838 173.5
[M+Na]+ 344.14032 175.7
[M-H]- 320.14382 178.6
[M+NH4]+ 339.18492 186.9
[M+K]+ 360.11426 171.3
[M+H-H2O]+ 304.14836 165.0
[M+HCOO]- 366.14930 190.4
[M+CH3COO]- 380.16495 211.6
[M+Na-2H]- 342.12577 174.3
[M]+ 321.15055 170.5
[M]- 321.15165 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.