CID 136806674

4-hydroxy-3-methoxybenzaldehyde n-(3-chlorophenyl)thiosemicarbazone

Structural Information

Molecular Formula
C15H14ClN3O2S
SMILES
COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C15H14ClN3O2S/c1-21-14-7-10(5-6-13(14)20)9-17-19-15(22)18-12-4-2-3-11(16)8-12/h2-9,20H,1H3,(H2,18,19,22)
InChIKey
WDUDFVVUUXRSPR-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.04953 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05681 174.4
[M+Na]+ 358.03875 181.7
[M-H]- 334.04225 181.3
[M+NH4]+ 353.08335 188.7
[M+K]+ 374.01269 175.2
[M+H-H2O]+ 318.04679 167.1
[M+HCOO]- 380.04773 191.4
[M+CH3COO]- 394.06338 212.3
[M+Na-2H]- 356.02420 177.0
[M]+ 335.04898 177.8
[M]- 335.05008 177.8
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.