CID 135441799

4-hydroxy-3-methoxybenzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C15H15N3O2S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=CC=C2)O
InChI
InChI=1S/C15H15N3O2S/c1-20-14-9-11(7-8-13(14)19)10-16-18-15(21)17-12-5-3-2-4-6-12/h2-10,19H,1H3,(H2,17,18,21)/b16-10+
InChIKey
JWLFZGSWRRLBAH-MHWRWJLKSA-N
Compound name
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

301.0885 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09578 168.3
[M+Na]+ 324.07772 179.0
[M+NH4]+ 319.12232 175.6
[M+K]+ 340.05166 170.3
[M-H]- 300.08122 173.5
[M+Na-2H]- 322.06317 176.3
[M]+ 301.08795 171.5
[M]- 301.08905 171.5
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.