CID 135516795

186453-52-1

Structural Information

Molecular Formula
C17H19N3O2S
SMILES
CCOC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C17H19N3O2S/c1-2-22-15-9-7-13(8-10-15)11-18-17(23)20-19-12-14-5-3-4-6-16(14)21/h3-10,12,21H,2,11H2,1H3,(H2,18,20,23)/b19-12+
InChIKey
JPCHFHINFPSMKC-XDHOZWIPSA-N
Compound name
1-[(4-ethoxyphenyl)methyl]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1198 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.127076 175.6
[M+Na]+ 352.109018 180.5
[M-H]- 328.112524 181.8
[M+NH4]+ 347.153623 188.9
[M+K]+ 368.082958 175.0
[M+H-H2O]+ 312.117060 166.7
[M+HCOO]- 374.118001 196.4
[M+CH3COO]- 388.133651 213.4
[M+Na-2H]- 350.094466 178.5
[M]+ 329.11925142 177.0
[M]- 329.12034858 177.0
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.